Details of the Drug

General Information of Drug (ID: DMO6LID)

Drug Name
3-(4-Phenoxy-phenyl)-1H-pyrazole
Synonyms
5-(4-phenoxyphenyl)-1H-pyrazole; CHEMBL41864; 111273-31-5; 1H-Pyrazole, 3-(4-phenoxyphenyl)-; 3-(4-Phenoxy-phenyl)-1H-pyrazole; ACMC-20me6r; AC1MD5RK; Maybridge3_001296; Oprea1_637414; MLS000851363; SCHEMBL3364770; CTK0G1854; DTXSID00384478; MolPort-001-792-591; SGQSMRQYEPPNIA-UHFFFAOYSA-N; 3-(4-phenoxyphenyl)-1H-pyrazole; HMS2799J18; HMS1434K20; BDBM50141064; ZINC13559817; AKOS023552923; MCULE-9803599814; IDI1_012683
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) 236.27
Logarithm of the Partition Coefficient (xlogp) 3.4
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C15H12N2O
IUPAC Name
5-(4-phenoxyphenyl)-1H-pyrazole
Canonical SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)C3=CC=NN3
InChI
InChI=1S/C15H12N2O/c1-2-4-13(5-3-1)18-14-8-6-12(7-9-14)15-10-11-16-17-15/h1-11H,(H,16,17)
InChIKey
SGQSMRQYEPPNIA-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
2806138
ChEBI ID
CHEMBL41864
CAS Number
111273-31-5
TTD ID
D0M5VF
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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.