Details of the Drug

General Information of Drug (ID: DMS7M0U)

Drug Name

PF-514273

Synonyms

PF 514273; 2-(2-CHLOROPHENYL)-3-(4-CHLOROPHENYL)-7-(2,2-DIFLUOROPROPYL)-6,7-DIHYDRO-2H-PYRAZOLO[3,4-F][1,4]OXAZEPIN-8(5H)-ONE; FJMQJSUOOGOWBD-UHFFFAOYSA-N; SCHEMBL1315434; CHEMBL484929; BDBM29075; DTXSID80462142; MolPort-023-276-895; ZINC40939374; AKOS024457743; API0006251; NCGC00370822-01; PF-0514273; FT-0673651; PF-514273, &gt

Indication

Disease Entry	ICD 11	Status	REF
Obesity	5B81	Discontinued in Phase 1	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

452.3

Logarithm of the Partition Coefficient (xlogp)

5.4

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C21H17Cl2F2N3O2
IUPAC Name: 2-(2-chlorophenyl)-3-(4-chlorophenyl)-7-(2,2-difluoropropyl)-5,6-dihydropyrazolo[3,4-f][1,4]oxazepin-8-one
Canonical SMILES: CC(CN1CCOC2=C(N(N=C2C1=O)C3=CC=CC=C3Cl)C4=CC=C(C=C4)Cl)(F)F
InChI: InChI=1S/C21H17Cl2F2N3O2/c1-21(24,25)12-27-10-11-30-19-17(20(27)29)26-28(16-5-3-2-4-15(16)23)18(19)13-6-8-14(22)9-7-13/h2-9H,10-12H2,1H3
InChIKey: FJMQJSUOOGOWBD-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 11316919
CAS Number: 851728-60-4
TTD ID: D0H1FL

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	Modulator	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

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Molecular Expression Atlas of This Drug

The Studied Disease

Obesity

ICD Disease Classification

5B81

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 800025584)
2	Effects of the novel cannabinoid CB1 receptor antagonist PF 514273 on the acquisition and expression of ethanol conditioned place preference. Alcohol. 2014 Aug;48(5):427-31.