Details of the Drug

General Information of Drug (ID: DMPHM23)

Drug Name
(3-fluoro-4-(4-phenoxybenzoyl)phenyl)acetic acid
Synonyms CHEMBL382214; (3-fluoro-4-(4-phenoxybenzoyl)phenyl)acetic acid
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) 350.3
Logarithm of the Partition Coefficient (xlogp) 4.4
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C21H15FO4
IUPAC Name
2-[3-fluoro-4-(4-phenoxybenzoyl)phenyl]acetic acid
Canonical SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)C3=C(C=C(C=C3)CC(=O)O)F
InChI
InChI=1S/C21H15FO4/c22-19-12-14(13-20(23)24)6-11-18(19)21(25)15-7-9-17(10-8-15)26-16-4-2-1-3-5-16/h1-12H,13H2,(H,23,24)
InChIKey
DXGWDHUXZJQMIN-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
11530398
ChEBI ID
CHEMBL382214
TTD ID
D07BHS
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Steroid 5-alpha-reductase 1 (SRD5A1) TTTU72V S5A1_HUMAN Inhibitor [1]
Steroid 5-alpha-reductase 2 (SRD5A2) TTT02K8 S5A2_HUMAN Inhibitor [1]
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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.