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]
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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
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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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)

MEA Detail

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.