Details of the Drug

General Information of Drug (ID: DMD42MN)

Drug Name

PF-3274167

Synonyms

PF-3274167; Cligosiban; 900510-03-4; UNII-D361S17AIF; D361S17AIF; CHEMBL594828; 5-(3-(3-(2-chloro-4-fluorophenoxy)azetidin-1-yl)-5-(methoxymethyl)-4H-1,2,4-triazol-4-yl)-2-methoxypyridine; Cligosiban [INN]; 5-{3-[3-(2-chloro-4-fluorophenoxy)azetidin-1-yl]-5-(methoxymethyl)-4H-1,2,4-triazol-4-yl}-2-methoxypyridine; SCHEMBL4126605; EX-A297; MolPort-044-567-557; BCP08878; ZINC38239529; BDBM50305506; AKOS030526977; CS-5337; HY-15023; PF3274167; B5924; PF 3274167; J-690387; Pyridine, 5-(3-(3-(2-chloro-4-fluorophenoxy)-1-azetidinyl)-5

Indication

Disease Entry	ICD 11	Status	REF
Female sexual arousal dysfunction	HA01.1	Discontinued in Phase 1	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

419.8

Logarithm of the Partition Coefficient (xlogp)

2.7

Rotatable Bond Count (rotbonds)

7

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

8

Chemical Identifiers

Formula: C19H19ClFN5O3
IUPAC Name: 5-[3-[3-(2-chloro-4-fluorophenoxy)azetidin-1-yl]-5-(methoxymethyl)-1,2,4-triazol-4-yl]-2-methoxypyridine
Canonical SMILES: COCC1=NN=C(N1C2=CN=C(C=C2)OC)N3CC(C3)OC4=C(C=C(C=C4)F)Cl
InChI: InChI=1S/C19H19ClFN5O3/c1-27-11-17-23-24-19(26(17)13-4-6-18(28-2)22-8-13)25-9-14(10-25)29-16-5-3-12(21)7-15(16)20/h3-8,14H,9-11H2,1-2H3
InChIKey: HNIFCPBQMKPRCX-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 11683187
CAS Number: 900510-03-4
TTD ID: D0A1KU

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Oxytocin receptor (OTR)	TTSCIUP	OXYR_HUMAN	Inhibitor	[2]
Vasopressin V1a receptor (V1AR)	TT4TFGN	V1AR_HUMAN	Inhibitor	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

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Molecular Expression Atlas of This Drug

The Studied Disease

Female sexual arousal dysfunction

ICD Disease Classification

HA01.1

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Vasopressin V1a receptor (V1AR)	DTT	AVPR1A	8.89E-04	-0.12	-0.34

Molecular Expression Atlas (MEA)

MEA Detail

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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 800025596)
2	Oral oxytocin antagonists. J Med Chem. 2010 Sep 23;53(18):6525-38.