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]
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
ChEBI ID
CHEMBL594828
CAS Number
900510-03-4
TTD ID
D0A1KU
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Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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