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

General Information of Drug (ID: DR1159)
Drug Name
ARC-029
Synonyms
Nilvadipine (ARC029); Nilvadipine [USAN:INN:JAN]; Nilvadipino [Spanish]; Nilvadipinum [Latin]; Nivadil; Nivadipine; SK&F 102,362; SK&F-102362; nilvadipine; 3-O-methyl 5-O-propan-2-yl 2-cyano-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate; 5-Isopropyl 3-methyl 2-cyano-1,4-dihydro-6-methyl-4-(m-nitrophenyl)-3,5-pyridinedicarboxylate; 75530-68-6; BRN 3572609; C19H19N3O6; CL 287,389; CL-287389; Escor; FK 235; FK-235; FR 34235; FR-34235; FR34235; ARC029; FAIIFDPAEUKBEP-UHFFFAOYSA-N; NCGC00167435-01
Indication Alzheimer disease [ICD11: 8A20] Phase 3 []
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 385.4 Topological Polar Surface Area 134
Heavy Atom Count 28 Rotatable Bond Count 6
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 8
Cross-matching ID
PubChem CID
4494
PubChem SID
7404098 ; 7848970 ; 8152767 ; 12013601 ; 14829624 ; 29223588 ; 50032142 ; 50112689 ; 57322296 ; 76419116 ; 91615151 ; 99443264 ; 103650265 ; 103825417 ; 104306568 ; 114918123 ; 117482643 ; 117550807 ; 118844956 ; 124893312 ; 125357242 ; 126684563 ; 131325620 ; 134224176 ; 134349141 ; 135011626 ; 135692559 ; 135727167 ; 137173173 ; 142970901 ; 144205992 ; 152046996 ; 160810045 ; 160846951 ; 160967881 ; 162178897 ; 163088366 ; 164814634 ; 175611951 ; 179148723 ; 184546033 ; 185987117 ; 187072433 ; 206245192 ; 210275074 ; 210280712 ; 223401140 ; 223680726 ; 223702474 ; 224966744
ChEBI ID
CHEBI:31911
CAS Number
75530-68-6
TTD Drug ID
D06GRK
Formula
C19H19N3O6
Canonical SMILES
CC1=C(C(C(=C(N1)C#N)C(=O)OC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC(C)C
InChI
1S/C19H19N3O6/c1-10(2)28-19(24)15-11(3)21-14(9-20)17(18(23)27-4)16(15)12-6-5-7-13(8-12)22(25)26/h5-8,10,16,21H,1-4H3
InChIKey
FAIIFDPAEUKBEP-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
ARC-029 M1 PDM007406
15388766
Hydrolysis - Hydrolysis of carboxylic acid ester 1 Human
ARC-029 M2 PDM007407
3776
Hydrolysis - Hydrolysis of carboxylic acid ester 1 Human
ARC-029 M4 PDM007409
10248631
Hydrolysis - Hydrolysis of carboxylic acid ester 1 Human
Methanol DM002019
887
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 2E1 (CYP2E1) DME0013 Homo sapiens
CP2E1_HUMAN
1.14.14.1
[1]
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[1]
References
1 Effect of nilvadipine, a dihydropyridine calcium antagonist, on cytochrome P450 activities in human hepatic microsomes. Biol Pharm Bull. 2004 Mar;27(3):415-7.

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