Details of the Drug

General Information of Drug (ID: DMXNK0J)

Drug Name
AVE1625
Synonyms
Drinabant; 358970-97-5; AVE-1625; AVE1625; UNII-61S98RLL5I; 61S98RLL5I; Drinabant [INN]; SCHEMBL684143; C23H20Cl2F2N2O2S; CHEMBL3545166; CTK8E8263; DTXSID50189455; MolPort-009-019-211; ZINC59299699; 1745AH; RT-011348; 970D975; Methanesulfonamide, N-(1-(bis(4-chlorophenyl)methyl)-3-azetidinyl)-N-(3,5-difluorophenyl)-
Indication
Disease Entry ICD 11 Status REF
Psychotic disorder 6A20-6A25 Discontinued in Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 497.4
Logarithm of the Partition Coefficient (xlogp) 5.6
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C23H20Cl2F2N2O2S
IUPAC Name
N-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-N-(3,5-difluorophenyl)methanesulfonamide
Canonical SMILES
CS(=O)(=O)N(C1CN(C1)C(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)C4=CC(=CC(=C4)F)F
InChI
InChI=1S/C23H20Cl2F2N2O2S/c1-32(30,31)29(21-11-19(26)10-20(27)12-21)22-13-28(14-22)23(15-2-6-17(24)7-3-15)16-4-8-18(25)9-5-16/h2-12,22-23H,13-14H2,1H3
InChIKey
IQQBRKLVEALROM-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10278470
CAS Number
358970-97-5
DrugBank ID
DB05750
TTD ID
D0OM0M

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Cannabinoid receptor 1 (CB1) TT6OEDT CNR1_HUMAN Antagonist [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Psychotic disorder
ICD Disease Classification 6A20-6A25
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Cannabinoid receptor 1 (CB1) DTT CNR1 5.59E-02 -0.22 -0.45
Cannabinoid receptor 1 (CB1) DTT CNR1 7.68E-01 -0.06 -0.46
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

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 800020616)
2 Pharma & Vaccines. Product Development Pipeline. April 29 2009.