Details of the Drug

General Information of Drug (ID: DMZ5JNT)

Drug Name
PF-02367982
Synonyms CHEMBL1083754; BDBM50318934
Indication
Disease Entry ICD 11 Status REF
Endometriosis GA10 Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 336.4
Logarithm of the Partition Coefficient (xlogp) 2.1
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C19H20N4O2
IUPAC Name
2-[4-(4-cyanophenoxy)-3,5-dicyclopropylpyrazol-1-yl]-N-methylacetamide
Canonical SMILES
CNC(=O)CN1C(=C(C(=N1)C2CC2)OC3=CC=C(C=C3)C#N)C4CC4
InChI
InChI=1S/C19H20N4O2/c1-21-16(24)11-23-18(14-6-7-14)19(17(22-23)13-4-5-13)25-15-8-2-12(10-20)3-9-15/h2-3,8-9,13-14H,4-7,11H2,1H3,(H,21,24)
InChIKey
PQGLAOODCQDRAR-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
11964844
CAS Number
913344-84-0
TTD ID
D0H2MF

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Progesterone receptor (PGR) TTUV8G9 PRGR_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Endometriosis
ICD Disease Classification GA10
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Progesterone receptor (PGR) DTT PGR 3.26E-38 -3.79 -2.5
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Optimisation of a pyrazole series of progesterone antagonists; Part 1. Bioorg Med Chem Lett. 2010 Jun 1;20(11):3384-6.