General Information of Drug (ID: DMQ0JWZ)

Drug Name
4-(4-phenoxybenzoyl)phenylacetic acid
Synonyms 4-(4-phenoxybenzoyl)phenylacetic acid; CHEMBL370016
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) 332.3
Logarithm of the Partition Coefficient (xlogp) 4.3
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C21H16O4
IUPAC Name
2-[4-(4-phenoxybenzoyl)phenyl]acetic acid
Canonical SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)CC(=O)O
InChI
InChI=1S/C21H16O4/c22-20(23)14-15-6-8-16(9-7-15)21(24)17-10-12-19(13-11-17)25-18-4-2-1-3-5-18/h1-13H,14H2,(H,22,23)
InChIKey
VRBHQDUOTOPSLA-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
11695657
TTD ID
D04GZD

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Steroid 5-alpha-reductase 2 (SRD5A2) TTT02K8 S5A2_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Novel 5alpha-reductase inhibitors: synthesis, structure-activity studies, and pharmacokinetic profile of phenoxybenzoylphenyl acetic acids. J Med Chem. 2006 Jan 26;49(2):748-59.