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Showing metabocard for Pyridostigmine (HMDB0014685)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-06 15:16:50 UTC
Update Date2020-02-26 21:40:08 UTC
HMDB IDHMDB0014685
Secondary Accession Numbers
  • HMDB14685
Metabolite Identification
Common NamePyridostigmine
DescriptionPyridostigmine is only found in individuals that have used or taken this drug. It is a cholinesterase inhibitor with a slightly longer duration of action than neostigmine. It is used in the treatment of myasthenia gravis and to reverse the actions of muscle relaxants. [PubChem]Pyridostigmine inhibits acetylcholinesterase in the synaptic cleft by competing with acetylcholine for attachment to acetylcholinesterase, thus slowing down the hydrolysis of acetylcholine, and thereby increases efficiency of cholinergic transmission in the neuromuscular junction and prolonges the effects of acetylcholine.
Structure
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MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0014685 (Pyridostigmine)

545
  Mrv0541 02231214452D          

 13 13  0  0  0  0            999 V2000
    3.0791    0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    1.4438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080   -1.4438    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.3645    1.4438    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080   -2.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0791    1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    2.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 11  1  0  0  0  0
  2 11  2  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3 10  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8  9  2  0  0  0  0
M  CHG  1   3   1
M  END
Download

3D MOL for HMDB0014685 (Pyridostigmine)

HMDB0014685
     RDKit          3D
Pyridostigmine
 26 26  0  0  0  0  0  0  0  0999 V2000
    3.5002   -0.4579   -0.9989 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9469    0.5048   -0.0711 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8350    1.4827    0.5150 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5558    0.4371    0.2150 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9910    1.2377    1.0122 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7315   -0.5166   -0.3668 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6268   -0.6103   -0.1103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0485   -1.4087    0.9286 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4005   -1.5475    1.2408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3043   -0.8515    0.4659 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8926   -0.0695   -0.5516 N   0  0  0  0  0  4  0  0  0  0  0  0
   -3.8916    0.6546   -1.3517 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5879    0.0531   -0.8386 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8978   -1.3843   -1.0663 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5504   -0.7358   -0.6997 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4877    0.0234   -2.0009 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2968    2.1086   -0.2971 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3480    2.1261    1.2531 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6562    0.8991    1.0145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3230   -1.9438    1.5212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7275   -2.1787    2.0614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3711   -0.9162    0.6563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7477    0.8302   -0.6802 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1539   -0.0215   -2.1989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4628    1.6119   -1.7238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2590    0.6729   -1.6452 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 11 13  2  0
 13  7  1  0
  1 14  1  0
  1 15  1  0
  1 16  1  0
  3 17  1  0
  3 18  1  0
  3 19  1  0
  8 20  1  0
  9 21  1  0
 10 22  1  0
 12 23  1  0
 12 24  1  0
 12 25  1  0
 13 26  1  0
M  CHG  1  11   1
M  END
Download

3D SDF for HMDB0014685 (Pyridostigmine)

545
  Mrv0541 02231214452D          

 13 13  0  0  0  0            999 V2000
    3.0791    0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    1.4438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080   -1.4438    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.3645    1.4438    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080   -2.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0791    1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    2.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 11  1  0  0  0  0
  2 11  2  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3 10  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8  9  2  0  0  0  0
M  CHG  1   3   1
M  END
> <DATABASE_ID>
HMDB0014685

> <DATABASE_NAME>
hmdb

> <SMILES>
CN(C)C(=O)OC1=C[N+](C)=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C9H13N2O2/c1-10(2)9(12)13-8-5-4-6-11(3)7-8/h4-7H,1-3H3/q+1

> <INCHI_KEY>
RVOLLAQWKVFTGE-UHFFFAOYSA-N

> <FORMULA>
C9H13N2O2

> <MOLECULAR_WEIGHT>
181.2117

> <EXACT_MASS>
181.09770267

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
19.381806034944322

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
1

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3-[(dimethylcarbamoyl)oxy]-1-methylpyridin-1-ium

> <ALOGPS_LOGP>
-3.13

> <JCHEM_LOGP>
-3.4667273988050784

> <ALOGPS_LOGS>
-2.32

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
19.52682691549042

> <JCHEM_POLAR_SURFACE_AREA>
33.42

> <JCHEM_REFRACTIVITY>
49.659

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.04e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
pyridostigmine

> <JCHEM_VEBER_RULE>
1

$$$$
Download

3D-SDF for HMDB0014685 (Pyridostigmine)

HMDB0014685
     RDKit          3D
Pyridostigmine
 26 26  0  0  0  0  0  0  0  0999 V2000
    3.5002   -0.4579   -0.9989 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9469    0.5048   -0.0711 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8350    1.4827    0.5150 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5558    0.4371    0.2150 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9910    1.2377    1.0122 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7315   -0.5166   -0.3668 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6268   -0.6103   -0.1103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0485   -1.4087    0.9286 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4005   -1.5475    1.2408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3043   -0.8515    0.4659 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8926   -0.0695   -0.5516 N   0  0  0  0  0  4  0  0  0  0  0  0
   -3.8916    0.6546   -1.3517 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5879    0.0531   -0.8386 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8978   -1.3843   -1.0663 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5504   -0.7358   -0.6997 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4877    0.0234   -2.0009 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2968    2.1086   -0.2971 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3480    2.1261    1.2531 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6562    0.8991    1.0145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3230   -1.9438    1.5212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7275   -2.1787    2.0614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3711   -0.9162    0.6563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7477    0.8302   -0.6802 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1539   -0.0215   -2.1989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4628    1.6119   -1.7238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2590    0.6729   -1.6452 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 11 13  2  0
 13  7  1  0
  1 14  1  0
  1 15  1  0
  1 16  1  0
  3 17  1  0
  3 18  1  0
  3 19  1  0
  8 20  1  0
  9 21  1  0
 10 22  1  0
 12 23  1  0
 12 24  1  0
 12 25  1  0
 13 26  1  0
M  CHG  1  11   1
M  END
Download

PDB for HMDB0014685 (Pyridostigmine)

HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: 545                                               
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1  O   UNK     0       5.748   0.385   0.000  0.00  0.00           O+0
HETATM    2  O   UNK     0       7.081   2.695   0.000  0.00  0.00           O+0
HETATM    3  N   UNK     0       8.415  -2.695   0.000  0.00  0.00           N+1
HETATM    4  N   UNK     0       4.414   2.695   0.000  0.00  0.00           N+0
HETATM    5  C   UNK     0       7.081  -0.385   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       7.081  -1.925   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       9.748  -1.925   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       8.415   0.385   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       9.748  -0.385   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       8.415  -4.235   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       5.748   1.925   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       4.414   4.235   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       3.080   1.925   0.000  0.00  0.00           C+0
CONECT    1    5   11                                                       
CONECT    2   11                                                            
CONECT    3    6    7   10                                                  
CONECT    4   11   12   13                                                  
CONECT    5    1    6    8                                                  
CONECT    6    3    5                                                       
CONECT    7    3    9                                                       
CONECT    8    5    9                                                       
CONECT    9    7    8                                                       
CONECT   10    3                                                            
CONECT   11    1    2    4                                                  
CONECT   12    4                                                            
CONECT   13    4                                                            
MASTER        0    0    0    0    0    0    0    0   13    0   26    0
END
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3D PDB for HMDB0014685 (Pyridostigmine)

COMPND    HMDB0014685
HETATM    1  C1  UNL     1       3.500  -0.458  -0.999  1.00  0.00           C  
HETATM    2  N1  UNL     1       2.947   0.505  -0.071  1.00  0.00           N  
HETATM    3  C2  UNL     1       3.835   1.483   0.515  1.00  0.00           C  
HETATM    4  C3  UNL     1       1.556   0.437   0.215  1.00  0.00           C  
HETATM    5  O1  UNL     1       0.991   1.238   1.012  1.00  0.00           O  
HETATM    6  O2  UNL     1       0.731  -0.517  -0.367  1.00  0.00           O  
HETATM    7  C4  UNL     1      -0.627  -0.610  -0.110  1.00  0.00           C  
HETATM    8  C5  UNL     1      -1.048  -1.409   0.929  1.00  0.00           C  
HETATM    9  C6  UNL     1      -2.400  -1.548   1.241  1.00  0.00           C  
HETATM   10  C7  UNL     1      -3.304  -0.852   0.466  1.00  0.00           C  
HETATM   11  N2  UNL     1      -2.893  -0.069  -0.552  1.00  0.00           N1+
HETATM   12  C8  UNL     1      -3.892   0.655  -1.352  1.00  0.00           C  
HETATM   13  C9  UNL     1      -1.588   0.053  -0.839  1.00  0.00           C  
HETATM   14  H1  UNL     1       2.898  -1.384  -1.066  1.00  0.00           H  
HETATM   15  H2  UNL     1       4.550  -0.736  -0.700  1.00  0.00           H  
HETATM   16  H3  UNL     1       3.488   0.023  -2.001  1.00  0.00           H  
HETATM   17  H4  UNL     1       4.297   2.109  -0.297  1.00  0.00           H  
HETATM   18  H5  UNL     1       3.348   2.126   1.253  1.00  0.00           H  
HETATM   19  H6  UNL     1       4.656   0.899   1.015  1.00  0.00           H  
HETATM   20  H7  UNL     1      -0.323  -1.944   1.521  1.00  0.00           H  
HETATM   21  H8  UNL     1      -2.728  -2.179   2.061  1.00  0.00           H  
HETATM   22  H9  UNL     1      -4.371  -0.916   0.656  1.00  0.00           H  
HETATM   23  H10 UNL     1      -4.748   0.830  -0.680  1.00  0.00           H  
HETATM   24  H11 UNL     1      -4.154  -0.021  -2.199  1.00  0.00           H  
HETATM   25  H12 UNL     1      -3.463   1.612  -1.724  1.00  0.00           H  
HETATM   26  H13 UNL     1      -1.259   0.673  -1.645  1.00  0.00           H  
CONECT    1    2   14   15   16
CONECT    2    3    4
CONECT    3   17   18   19
CONECT    4    5    5    6
CONECT    6    7
CONECT    7    8    8   13
CONECT    8    9   20
CONECT    9   10   10   21
CONECT   10   11   22
CONECT   11   12   13   13
CONECT   12   23   24   25
CONECT   13   26
END
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SMILES for HMDB0014685 (Pyridostigmine)

CN(C)C(=O)OC1=C[N+](C)=CC=C1
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INCHI for HMDB0014685 (Pyridostigmine)

InChI=1S/C9H13N2O2/c1-10(2)9(12)13-8-5-4-6-11(3)7-8/h4-7H,1-3H3/q+1
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
MestinonHMDB
RegonolHMDB
Pyridine N-oxideHMDB
Pyridostigmine bromideHMDB
Pyridostigmine bromineHMDB
PyridostigminumHMDB
Bromide, pyridostigmineHMDB
Chemical FormulaC9H13N2O2
Average Molecular Weight181.2117
Monoisotopic Molecular Weight181.09770267
IUPAC Name3-[(dimethylcarbamoyl)oxy]-1-methylpyridin-1-ium
Traditional Namepyridostigmine
CAS Registry Number155-97-5
SMILES
CN(C)C(=O)OC1=C[N+](C)=CC=C1
InChI Identifier
InChI=1S/C9H13N2O2/c1-10(2)9(12)13-8-5-4-6-11(3)7-8/h4-7H,1-3H3/q+1
InChI KeyRVOLLAQWKVFTGE-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as n-methylpyridinium compounds. These are methylpyridines that carry a methyl group at the 1-position.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassPyridines and derivatives
Sub ClassMethylpyridines
Direct ParentN-methylpyridinium compounds
Alternative Parents
Substituents
  • N-methylpyridinium
  • Pyridinium
  • Carbamic acid ester
  • Heteroaromatic compound
  • Carbonic acid derivative
  • Azacycle
  • Organic oxide
  • Organopnictogen compound
  • Organic oxygen compound
  • Organooxygen compound
  • Organonitrogen compound
  • Organic nitrogen compound
  • Carbonyl group
  • Hydrocarbon derivative
  • Organic cation
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
Biological locationSource
ProcessNot Available
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point153 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility1.04 g/LNot Available
LogP1.554Not Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra
Biological Properties
Cellular Locations
  • Cytoplasm
  • Membrane
Biospecimen Locations
  • Blood
  • Urine
Tissue Locations
  • Kidney
  • Liver
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableTaking drug identified by DrugBank entry DB00545 details
UrineExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableTaking drug identified by DrugBank entry DB00545 details
Abnormal Concentrations
Not Available
Predicted Concentrations
BiospecimenValueOriginal ageOriginal sexOriginal conditionComments
Blood0.000 uMAdult (>18 years old)BothNormalPredicted based on drug qualities
Blood0.000 umol/mmol creatinineAdult (>18 years old)BothNormalPredicted based on drug qualities
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDDB00545
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID4817
KEGG Compound IDC07410
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkPyridostigmine
METLIN IDNot Available
PubChem Compound4991
PDB IDNot Available
ChEBI ID257330
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Singer W, Opfer-Gehrking TL, McPhee BR, Hilz MJ, Bharucha AE, Low PA: Acetylcholinesterase inhibition: a novel approach in the treatment of neurogenic orthostatic hypotension. J Neurol Neurosurg Psychiatry. 2003 Sep;74(9):1294-8. [PubMed:12933939 ]

Enzymes

Enzyme Details
1. Acetylcholinesterase
General function:
Involved in carboxylesterase activity
Specific function:
Terminates signal transduction at the neuromuscular junction by rapid hydrolysis of the acetylcholine released into the synaptic cleft. Role in neuronal apoptosis.
Gene Name:
ACHE
Uniprot ID:
P22303
Molecular weight:
67795.525
References
  1. Drake-Baumann R, Seil FJ: Effects of exposure to low-dose pyridostigmine on neuromuscular junctions in vitro. Muscle Nerve. 1999 Jun;22(6):696-703. [PubMed:10366222 ]
  2. Ricordel I, Meunier J: [Chemical weapons: antidotes. View about the real means, perspectives]. Ann Pharm Fr. 2000 Jan;58(1):5-12. [PubMed:10669805 ]
  3. Prasad V, Scotch R, Chaudhuri AR, Walss C, Fathy DB, Miller C, Luduena RF: Interactions of bovine brain tubulin with pyridostigmine bromide and N,N'-diethyl-m-toluamide. Neurochem Res. 2000 Jan;25(1):19-25. [PubMed:10685600 ]
  4. Sinton CM, Fitch TE, Petty F, Haley RW: Stressful manipulations that elevate corticosterone reduce blood-brain barrier permeability to pyridostigmine in the Rat. Toxicol Appl Pharmacol. 2000 May 15;165(1):99-105. [PubMed:10814558 ]
  5. Servatius RJ, Ottenweller JE, Guo W, Beldowicz D, Zhu G, Natelson BH: Effects of inescapable stress and treatment with pyridostigmine bromide on plasma butyrylcholinesterase and the acoustic startle response in rats. Physiol Behav. 2000 May;69(3):239-46. [PubMed:10869589 ]
  6. Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5. [PubMed:11752352 ]
Enzyme Details
2. Cholinesterase
General function:
Involved in carboxylesterase activity
Specific function:
Esterase with broad substrate specificity. Contributes to the inactivation of the neurotransmitter acetylcholine. Can degrade neurotoxic organophosphate esters.
Gene Name:
BCHE
Uniprot ID:
P06276
Molecular weight:
68417.575
References
  1. Somani SM, Husain K, Asha T, Helfert R: Interactive and delayed effects of pyridostigmine and physical stress on biochemical and histological changes in peripheral tissues of mice. J Appl Toxicol. 2000 Jul-Aug;20(4):327-34. [PubMed:10942908 ]
  2. Servatius RJ, Ottenweller JE, Guo W, Beldowicz D, Zhu G, Natelson BH: Effects of inescapable stress and treatment with pyridostigmine bromide on plasma butyrylcholinesterase and the acoustic startle response in rats. Physiol Behav. 2000 May;69(3):239-46. [PubMed:10869589 ]
  3. Abou-Donia MB, Wilmarth KR, Abdel-Rahman AA, Jensen KF, Oehme FW, Kurt TL: Increased neurotoxicity following concurrent exposure to pyridostigmine bromide, DEET, and chlorpyrifos. Fundam Appl Toxicol. 1996 Dec;34(2):201-22. [PubMed:8954750 ]
Enzyme Details
3. Cytochrome P450 3A4
General function:
Involved in monooxygenase activity
Specific function:
Cytochromes P450 are a group of heme-thiolate monooxygenases. In liver microsomes, this enzyme is involved in an NADPH-dependent electron transport pathway. It performs a variety of oxidation reactions (e.g. caffeine 8-oxidation, omeprazole sulphoxidation, midazolam 1'-hydroxylation and midazolam 4-hydroxylation) of structurally unrelated compounds, including steroids, fatty acids, and xenobiotics. Acts as a 1,8-cineole 2-exo-monooxygenase. The enzyme also hydroxylates etoposide.
Gene Name:
CYP3A4
Uniprot ID:
P08684
Molecular weight:
57255.585
References
  1. Preissner S, Kroll K, Dunkel M, Senger C, Goldsobel G, Kuzman D, Guenther S, Winnenburg R, Schroeder M, Preissner R: SuperCYP: a comprehensive database on Cytochrome P450 enzymes including a tool for analysis of CYP-drug interactions. Nucleic Acids Res. 2010 Jan;38(Database issue):D237-43. doi: 10.1093/nar/gkp970. Epub 2009 Nov 24. [PubMed:19934256 ]