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

General Information of Drug (ID: DR5290)
Drug Name
SR141716A
Synonyms
Riobant; Slimona; [3H]SR141716A; Acomplia (TN); Bethin (TN); Monaslim (TN); Remonabent (TN); Rimonabant [USAN:INN]; Rimoslim (TN); Riobant (TN); Riomont (TN); Slimona (TN); Zimulti (TN); Rimonabant (JAN/USAN/INN); 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide; 5-(p-Chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidinopyrazole-3-carboxamide
Indication Obesity [ICD11: 5B80-5B81] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 463.8 Topological Polar Surface Area 50.2
Heavy Atom Count 30 Rotatable Bond Count 4
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3
Cross-matching ID
PubChem CID
104850
ChEBI ID
CHEBI:34967
CAS Number
168273-06-1
TTD Drug ID
D0O3OS
Formula
C22H21Cl3N4O
Canonical SMILES
CC1=C(N(N=C1C(=O)NN2CCCCC2)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
InChIKey
JZCPYUJPEARBJL-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
SR141716A metabolite Ma1 DM017149 N. A. Unclear - Unclear 1 [3]
SR141716A metabolite Ma2 DM017152 N. A. Unclear - Unclear 1 [3]
SR141716A metabolite Ma3 DM017148 N. A. Oxidation - Hydroxylation 1 [3]
SR141716A metabolite Ma4 DM017150 N. A. Oxidation - Hydroxylation 1 [3]
SR141716A metabolite Ma5 DM015539
9847151
Oxidation - Dehydrogenation 1 [3]
SR141716A metabolite Ma6 DM017151 N. A. Oxidation - Dehydrogenation 1 [3]
SR141716A metabolite Ma1 DM017149 N. A. Unclear - Unclear 2 [3]
SR141716A metabolite Ma2 DM017152 N. A. Unclear - Unclear 2 [3]
SR141716A metabolite Ma5 DM015539
9847151
Unclear - Unclear 2 [3]
SR141716A metabolite Ma6 DM017151 N. A. Unclear - Unclear 2 [3]
SR141716A metabolite Ma1 DM017149 N. A. Unclear - Unclear 3 [3]
SR141716A metabolite Ma2 DM017152 N. A. Unclear - Unclear 3 [3]
⏷ Show the Full List of 12  DM(s)
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR008177 SR141716A SR141716A metabolite Ma3 Oxidation - Hydroxylation Unclear [3]
MR008180 SR141716A SR141716A metabolite Ma4 Oxidation - Hydroxylation Unclear [3]
MR008183 SR141716A SR141716A metabolite Ma5 Oxidation - Dehydrogenation Unclear [3]
MR008184 SR141716A SR141716A metabolite Ma6 Oxidation - Dehydrogenation Unclear [3]
MR008185 SR141716A SR141716A metabolite Ma1 Unclear - Unclear Unclear [3]
MR008186 SR141716A SR141716A metabolite Ma2 Unclear - Unclear Unclear [3]
MR008178 SR141716A metabolite Ma3 SR141716A metabolite Ma5 Unclear - Unclear Unclear [3]
MR008181 SR141716A metabolite Ma4 SR141716A metabolite Ma6 Unclear - Unclear Unclear [3]
MR008179 SR141716A metabolite Ma5 SR141716A metabolite Ma1 Unclear - Unclear Unclear [3]
MR008182 SR141716A metabolite Ma6 SR141716A metabolite Ma2 Unclear - Unclear Unclear [3]
⏷ Show the Full List of 10 MR(s)
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 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
2 PubChem:SR141716A
3 In vitro metabolism of diarylpyrazoles, a novel group of cannabinoid receptor ligands

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