Details of the Drug

General Information of Drug (ID: DM14VI3)

Drug Name
4,6,6,7-tetramethyl-6H-benzo[c]chromene-3,8-diol
Synonyms CHEMBL204025; 4,6,6,7-tetramethyl-6H-benzo[c]chromene-3,8-diol; SCHEMBL6827956
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) 270.32
Logarithm of the Partition Coefficient (xlogp) 3.7
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C17H18O3
IUPAC Name
4,6,6,7-tetramethylbenzo[c]chromene-3,8-diol
Canonical SMILES
CC1=C(C=CC2=C1C(OC3=C2C=CC(=C3C)O)(C)C)O
InChI
InChI=1S/C17H18O3/c1-9-13(18)7-5-11-12-6-8-14(19)10(2)16(12)20-17(3,4)15(9)11/h5-8,18-19H,1-4H3
InChIKey
XQLSNCGISMACFD-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
9993278
TTD ID
D0H5HI

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Estrogen receptor (ESR) TTZAYWL ESR1_HUMAN Inhibitor [1]
Estrogen receptor beta (ESR2) TTOM3J0 ESR2_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 6H-Benzo[c]chromen-6-one derivatives as selective ERbeta agonists. Bioorg Med Chem Lett. 2006 Mar 15;16(6):1468-72.