General Information of Drug (ID: DME86OK)

Drug Name
3-[4-(4-Fluoro-phenoxy)-phenyl]-1H-pyrazole
Synonyms
CHEMBL38031; 3-[4-(4-Fluorophenoxy)phenyl]-1H-pyrazole; 3-(4-(4-Fluorophenoxy)phenyl)-1H-pyrazole; 3-[4-(4-Fluoro-phenoxy)-phenyl]-1H-pyrazole; SCHEMBL1385301; CTK7C0984; CGMPMLHCCFCLQL-UHFFFAOYSA-N; BDBM50141066; ZINC13559818
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 254.26
Logarithm of the Partition Coefficient (xlogp) 3.5
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C15H11FN2O
IUPAC Name
5-[4-(4-fluorophenoxy)phenyl]-1H-pyrazole
Canonical SMILES
C1=CC(=CC=C1C2=CC=NN2)OC3=CC=C(C=C3)F
InChI
InChI=1S/C15H11FN2O/c16-12-3-7-14(8-4-12)19-13-5-1-11(2-6-13)15-9-10-17-18-15/h1-10H,(H,17,18)
InChIKey
CGMPMLHCCFCLQL-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
9816478
TTD ID
D0KH1D

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Voltage-gated sodium channel alpha Nav1.4 (SCN4A) TT84DRB SCN4A_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 3-(4-phenoxyphenyl)pyrazoles: a novel class of sodium channel blockers. J Med Chem. 2004 Mar 11;47(6):1547-52.