Details of the Drug

General Information of Drug (ID: DMRNZ4X)

Drug Name
2-phenyl-2,3-dihydrobenzo[h]chromen-4-one
Synonyms
ALPHA-NAPHTHOFLAVANONE; 2-phenyl-2H-benzo[h]chromen-4(3H)-one; CHEMBL404225; 6051-86-1; 2-phenyl-2,3-dihydrobenzo[h]chromen-4-one; SCHEMBL14027636; BDBM50345186; FT-0758804; 2-Phenyl-2H-naphtho[1,2-b]pyran-4(3H)-one
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) 274.3
Logarithm of the Partition Coefficient (xlogp) 4.2
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C19H14O2
IUPAC Name
2-phenyl-2,3-dihydrobenzo[h]chromen-4-one
Canonical SMILES
C1C(OC2=C(C1=O)C=CC3=CC=CC=C32)C4=CC=CC=C4
InChI
InChI=1S/C19H14O2/c20-17-12-18(14-7-2-1-3-8-14)21-19-15-9-5-4-6-13(15)10-11-16(17)19/h1-11,18H,12H2
InChIKey
QEVIKVQRCYXXSA-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
9898204
ChEBI ID
CHEMBL404225
TTD ID
D08FOJ
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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 New 7,8-benzoflavanones as potent aromatase inhibitors: synthesis and biological evaluation. Bioorg Med Chem. 2008 Feb 1;16(3):1474-80.