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

General Information of Drug (ID: DR1002)
Drug Name
Manidipine 2HCl
Synonyms
Calslot; Franidipine hydrochloride; Manidipine (dihydrochloride); Manidipine hydrochloride; Manidipine dihydrochloride; Manidipine.2HCl; manidipine hydrochloride; (+-)-Manidipine hydrochloride; 3-(2-(4-Benzhydrylpiperazin-1-yl)ethyl) 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate dihydrochloride; 89226-75-5; CV-4093; CV4093; DSSTox_CID_796; DSSTox_GSID_20796; DSSTox_RID_75794
Indication Discovery agent Investigative [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 683.6 Topological Polar Surface Area 117
Heavy Atom Count 47 Rotatable Bond Count 11
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 9
Cross-matching ID
PubChem CID
150762
ChEBI ID
CHEBI:31800
CAS Number
89226-75-5
TTD Drug ID
D0I9VY
Formula
C35H40Cl2N4O6
Canonical SMILES
CC1=C(C(C(=C(N1)C)C(=O)OCCN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)OC.Cl.Cl
InChI
1S/C35H38N4O6.2ClH/c1-24-30(34(40)44-3)32(28-15-10-16-29(23-28)39(42)43)31(25(2)36-24)35(41)45-22-21-37-17-19-38(20-18-37)33(26-11-6-4-7-12-26)27-13-8-5-9-14-27;;/h4-16,23,32-33,36H,17-22H2,1-3H3;2*1H
InChIKey
JINNGBXKBDUGQT-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
Manidipine M-XIII DM005493
128529
Unclear 1 [3] , [4]
Unclear DM009999 N. A. Unclear 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR005854 Manidipine 2HCl Manidipine M-XIII Unclear Unclear [3], [4]
MR005855 Manidipine 2HCl Unclear 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 Dihydropyrimidines: novel calcium antagonists with potent and long-lasting vasodilative and antihypertensive activity. J Med Chem. 1989 Oct;32(10):2399-406.
2 Effect of grapefruit juice on the disposition of manidipine enantiomers in healthy subjects. Br J Clin Pharmacol. 2006 May;61(5):533-7.
3 'This living hand'
4 Pharmacokinetics and tolerability of a new manidipine and delapril fixed oral combination in young and elderly subjects

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