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

General Information of Drug (ID: DR1780)
Drug Name
Norcisapride
Synonyms
Norcisapride; OMLDMGPCWMBPAN-UHFFFAOYSA-N; SCHEMBL593405; (4-Amino-5-chloro-2-methoxy)-N-[3-methoxy(4-piperidyl)]benzamide; 4-Amino-5-chloro-2-methoxy-N-(3-methoxy-4-piperidyl)benzamide; 4-amino-5-chloro-2-methoxy-N-(3-methoxy-4-piperidinyl)benzamide; 4-amino-5-chloro-2-methoxy-N-(3-methoxypiperidin-4-yl)benzamide; 84946-16-7; AC1MI81F; AKOS030254741; API0006151; BDBM50301927; Benzamide,4-amino-5-chloro-2-methoxy-N-[(3S,4R)-3-methoxy-4-piperidinyl]-, hydrochloride(1:1); CHEMBL1748; CTK4E8653; DB-076176; EINECS 284-619-3
Indication Gastro-oesophageal reflux disease [ICD11: DA22] Discontinued [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 313.78 Topological Polar Surface Area 85.6
Heavy Atom Count 21 Rotatable Bond Count 4
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 5
Cross-matching ID
PubChem CID
3019427
CAS Number
84946-16-7
TTD Drug ID
D0K1SZ
Formula
C14H20ClN3O3
Canonical SMILES
COC1CNCCC1NC(=O)C2=CC(=C(C=C2OC)N)Cl
InChI
1S/C14H20ClN3O3/c1-20-12-6-10(16)9(15)5-8(12)14(19)18-11-3-4-17-7-13(11)21-2/h5-6,11,13,17H,3-4,7,16H2,1-2H3,(H,18,19)
InChIKey
OMLDMGPCWMBPAN-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
Norcisapride (M15) DM007015 N. A. Oxidation - Oxidationn 1 [2]
Norcisapride (M16) DM007016 N. A. Oxidation - Oxidationn 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR007644 Norcisapride Norcisapride (M15) Oxidation - Oxidationn CYP [2]
MR007645 Norcisapride Norcisapride (M16) Oxidation - Oxidationn CYP [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 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800007174)
2 Cytochrome P450 Involvement in the biotransformation of cisapride and racemic norcisapride in vitro: differential activity of individual human CYP3A isoforms. Drug Metab Dispos. 2001 Dec;29(12):1548-54.

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