Details of the Drug

General Information of Drug (ID: DMH72MU)

Drug Name
9-Hydroxy-7,8-benzoflavone
Synonyms CHEMBL1097042; 9-Hydroxy-7,8-benzoflavone
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) 288.3
Logarithm of the Partition Coefficient (xlogp) 4.1
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C19H12O3
IUPAC Name
10-hydroxy-2-phenylbenzo[h]chromen-4-one
Canonical SMILES
C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C4=C(C=CC=C4O)C=C3
InChI
InChI=1S/C19H12O3/c20-15-8-4-7-13-9-10-14-16(21)11-17(22-19(14)18(13)15)12-5-2-1-3-6-12/h1-11,20H
InChIKey
UQEKEVFKEDHKOB-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
46887421
TTD ID
D0V0DB

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Aromatase (CYP19A1) TTSZLWK CP19A_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Pharmacophore modeling strategies for the development of novel nonsteroidal inhibitors of human aromatase (CYP19). Bioorg Med Chem Lett. 2010 May 15;20(10):3050-64.