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

General Information of Drug (ID: DR1844)
Drug Name
JNJ-37822681
Synonyms
JNJ-37822681; GJB2URS7NJ; SCHEMBL1022639; Z1558691527; ZINC34951380; 3-Pyridazinamine, N-(1-((3,4-difluorophenyl)methyl)-4-piperidinyl)-6-(trifluoromethyl)-; BDBM50003063; CHEMBL3234237; DB12579; NCGC00386644-01; UNII-GJB2URS7NJ
Indication Schizophrenia [ICD11: 6A20] Phase 2 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 372.34 Topological Polar Surface Area 41
Heavy Atom Count 26 Rotatable Bond Count 4
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 9
Cross-matching ID
PubChem CID
16058752
CAS Number
935776-74-2
TTD Drug ID
D0C8PE
Formula
C17H17F5N4
Canonical SMILES
C1CN(CCC1NC2=NN=C(C=C2)C(F)(F)F)CC3=CC(=C(C=C3)F)F
InChI
1S/C17H17F5N4/c18-13-2-1-11(9-14(13)19)10-26-7-5-12(6-8-26)23-16-4-3-15(24-25-16)17(20,21)22/h1-4,9,12H,5-8,10H2,(H,23,25)
InChIKey
UVUYWJWYRLJHEN-UHFFFAOYSA-N
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 ClinicalTrials.gov (NCT00728195) An Efficacy and Safety Study of 3 Fixed Doses of JNJ-37822681 in Participants With Schizophrenia.
2 CYP3A4 and 3A5 catalysed alprazolam metabolism in vitro and in vivo. International Clinical Psychopharmacology, 2006, 21(4):A33.

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