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

General Information of Drug (ID: DR1157)
Drug Name
Niludipine
Synonyms
Niludipin; Niludipina; Niludipina [INN-Spanish]; Niludipine; Niludipine [INN:BAN]; Niludipinum; Niludipinum [INN-Latin]; Nilupidine; 22609-73-0; 9844OS3B0J; BAY-a 7168; BRN 0504197; Bay a 7168; Bis(2-propoxyethyl) 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate; Bis(2-propoxyethyl) 1,4-dihydro-2,6-dimethyl-4-(m-nitrophenyl)-3,5-pyridinedicarboxylate; C25H34N2O8; EINECS 245-120-6; UNII-9844OS3B0J; bis(2-propoxyethyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Indication Cerebral vasospasm [ICD11: BA85] Investigative [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 490.5 Topological Polar Surface Area 129
Heavy Atom Count 35 Rotatable Bond Count 15
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 9
Cross-matching ID
PubChem CID
89767
CAS Number
22609-73-0
Formula
C25H34N2O8
Canonical SMILES
CCCOCCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCOCCC)C)C
InChI
1S/C25H34N2O8/c1-5-10-32-12-14-34-24(28)21-17(3)26-18(4)22(25(29)35-15-13-33-11-6-2)23(21)19-8-7-9-20(16-19)27(30)31/h7-9,16,23,26H,5-6,10-15H2,1-4H3
InChIKey
VZWXXKDFACOXNT-UHFFFAOYSA-N
The Predicted Metabolic Roadmap of This Drug
The Full List of Predicted Drug Metabolites (PDM) of This Drug
PDM Name PDM ID PubChem ID Reaction PDM Level Biosystem
Niludipine M1 PDM007584
67923820
Hydrolysis - Hydrolysis of carboxylic acid ester 1 Human
Niludipine M2 PDM007585
17756
Hydrolysis - Hydrolysis of carboxylic acid ester 1 Human
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 Effects of new calcium channel blocker of niludipine on the coronary hemodynamics, diastolic properties, and metabolic responses to tachycardia stress in patients with coronary disease. Cathet Cardiovasc Diagn. 1982;8(4):373-81.
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.

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