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

General Information of Drug (ID: DR5369)
Drug Name
Indiplon
Synonyms NBI 34060; NBI-34060; Indiplon (USAN/INN); N-methyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide
Indication Fibromyalgia [ICD11: MG30] Approved [1]
Insomnia [ICD11: ICD11: 7A00-7A0Z] Approved [2]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 376.4 Topological Polar Surface Area 95.8
Heavy Atom Count 27 Rotatable Bond Count 4
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 5
Cross-matching ID
PubChem CID
6450813
CAS Number
325715-02-4
TTD Drug ID
D0GA5T
Formula
C20H16N4O2S
Canonical SMILES
CC(=O)N(C)C1=CC=CC(=C1)C2=CC=NC3=C(C=NN23)C(=O)C4=CC=CS4
InChI
InChI=1S/C20H16N4O2S/c1-13(25)23(2)15-6-3-5-14(11-15)17-8-9-21-20-16(12-22-24(17)20)19(26)18-7-4-10-27-18/h3-12H,1-2H3
InChIKey
CBIAWPMZSFFRGN-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
N-desacetylIndiplon DM016197
58070549
Oxidation - N-deacetylation 1 [3]
N-desmethylIndiplon DM016092
44390222
Oxidation - N-demethylation 1 [3]
N-desmethyl-desacetyl-Indiplon DM016091
44390168
Oxidation - N-demethylation 2 [3]
N-desmethyl-desacetyl-Indiplon DM016091
44390168
Oxidation - N-deacetylation 2 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR011238 Indiplon N-desmethylIndiplon Oxidation - N-demethylation CYP3A4 ... [3]
MR011240 Indiplon N-desacetylIndiplon Oxidation - N-deacetylation BES [3]
MR011241 N-desacetylIndiplon N-desmethyl-desacetyl-Indiplon Oxidation - N-demethylation CYP3A4 ... [3]
MR011239 N-desmethylIndiplon N-desmethyl-desacetyl-Indiplon Oxidation - N-deacetylation BES [3]
References
1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 4221).
2 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 4221).
3 In vitro metabolism of indiplon and an assessment of its drug interaction potential

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