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

General Information of Drug (ID: DR0418)
Drug Name
Darodipine
Synonyms
DARODIPINE; Darodipine (USAN/INN); Darodipine [USAN:INN]; Darodipino; Darodipino [Spanish]; Darodipinum; Darodipinum [Latin]; Dazodipin; Dazodipine; HY-U00086; PY 108-068; PY-108-068; QERUYFVNIOLCHV-UHFFFAOYSA-N; ZINC608297; 3,5-Pyridinedicarboxylic acid, 4-(4-benzofurazanyl)-1,4-dihydro-2,6-dimethyl-, diethyl ester; 72803-02-2; AC-26452; AC1L1BJM; AKOS025401865; CHEMBL2104154; CS-7120; DB09234; DTXSID90223125; Diethyl 4-(4-benzofurazanyl)-1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylate; N4AL7X96GL; SCHEMBL44696; UNII-N4AL7X96GL
Indication Cerebral ischaemia [ICD11: 8B1Z] Investigative [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 371.4 Topological Polar Surface Area 104
Heavy Atom Count 27 Rotatable Bond Count 7
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 8
Cross-matching ID
PubChem CID
51701
CAS Number
72803-02-2
TTD Drug ID
D0B9TX
Formula
C19H21N3O5
Canonical SMILES
CCOC(=O)C1=C(NC(=C(C1C2=CC=CC3=NON=C32)C(=O)OCC)C)C
InChI
1S/C19H21N3O5/c1-5-25-18(23)14-10(3)20-11(4)15(19(24)26-6-2)16(14)12-8-7-9-13-17(12)22-27-21-13/h7-9,16,20H,5-6H2,1-4H3
InChIKey
QERUYFVNIOLCHV-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
Formaldehyde DM001748
712
Oxidation - N-demethylation; O-demethylation 1 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR004593 Darodipine Formaldehyde Oxidation - N-demethylation; O-demethylation Unclear [3]
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 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800000417)
2 Integrated analysis on the physicochemical properties of dihydropyridine calcium channel blockers in grapefruit juice interactions. Curr Pharm Biotechnol. 2012 Jul;13(9):1705-17.
3 Inhibition of hepatic microsomal drug metabolism in rats by five calcium antagonists

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