Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR1292)
Drug Name
Pinacidil
Synonyms
Pinacidil anhydrous; Pinacidilum; Pinacidilum [INN-Latin]; S 1230; S-1230; pinacidil; (+-)-Pinacidil; (R,S)-Pinacidil; 1-cyano-2-(3,3-dimethylbutan-2-yl)-3-pyridin-4-ylguanidine; 2-Cyano-3-(4-pyridinyl)-1-(1,2,2-trimethylpropyl)guanidine; P 1134; 60560-33-0; 85371-64-8; CHEMBL1159; EINECS 262-294-9; Guanidine, N-cyano-N'-4-pyridinyl-N''-(1,2,2-trimethylpropyl)-; MLS000069377; N-Cyano-N'-4-pyridinyl-N''-(1,2,2-trimethylpropyl)guanidine; P-154; SMR000058360
Indication Essential hypertension [ICD11: BA00] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 245.32 Topological Polar Surface Area 73.1
Heavy Atom Count 18 Rotatable Bond Count 5
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 3
Cross-matching ID
PubChem CID
4826
PubChem SID
4669683 ; 8152962 ; 10321422 ; 11120045 ; 11120533 ; 11121021 ; 11121526 ; 11122006 ; 11147128 ; 11342030 ; 11362213 ; 11362595 ; 11363281 ; 11365157 ; 11365843 ; 11367719 ; 11368405 ; 11370461 ; 11370462 ; 11373320 ; 11375881 ; 11376567 ; 11466274 ; 11467394 ; 11485554 ; 11485987 ; 11487615 ; 11489555 ; 11494201 ; 11532877 ; 14892701 ; 15196571 ; 17405595 ; 24277866 ; 26613193 ; 26679753 ; 26749106 ; 26749107 ; 26752205 ; 26752206 ; 29223908 ; 47425317 ; 47721339 ; 47721634 ; 47944819 ; 47944820 ; 48019685 ; 48020021 ; 48170469 ; 48244097
ChEBI ID
CHEBI:91706
CAS Number
85371-64-8
TTD Drug ID
D02KMO
Formula
C13H19N5
Canonical SMILES
CC(C(C)(C)C)N=C(NC#N)NC1=CC=NC=C1
InChI
1S/C13H19N5/c1-10(13(2,3)4)17-12(16-9-14)18-11-5-7-15-8-6-11/h5-8,10H,1-4H3,(H2,15,16,17,18)
InChIKey
IVVNZDGDKPTYHK-UHFFFAOYSA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
M-2 DM002850 N. A. Oxidation - N-Oxidation 1 [2]
M3 and M4 DM002852 N. A. Unclear 1 [2]
Pinacidil amide DM002851
101649858
Unclear 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR002042 Pinacidil M-2 Oxidation - N-Oxidation CYP3A4 [2]
MR002043 Pinacidil Pinacidil amide Unclear CYP3A4 [2]
MR002044 Pinacidil M3 and M4 Unclear CYP3A4 [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[2]
References
1 Pinacidil was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Cytochrome P450 3A4-mediated oxidative conversion of a cyano to an amide group in the metabolism of pinacidil. Biochemistry. 2002 Feb 26;41(8):2712-8.

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