Details of the Drug

General Information of Drug (ID: DM9RF1T)

Drug Name
1,2-Bis-(4-hydroxy-phenyl)-3H-inden-5-ol
Synonyms CHEMBL26865; 1,2-Bis-(4-hydroxy-phenyl)-3H-inden-5-ol
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) 316.3
Logarithm of the Partition Coefficient (xlogp) 4
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C21H16O3
IUPAC Name
1,2-bis(4-hydroxyphenyl)-3H-inden-5-ol
Canonical SMILES
C1C2=C(C=CC(=C2)O)C(=C1C3=CC=C(C=C3)O)C4=CC=C(C=C4)O
InChI
InChI=1S/C21H16O3/c22-16-5-1-13(2-6-16)20-12-15-11-18(24)9-10-19(15)21(20)14-3-7-17(23)8-4-14/h1-11,22-24H,12H2
InChIKey
PTZCIKOPLAEWTE-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
11638264
TTD ID
D0Z0UC

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 Differential response of estrogen receptor subtypes to 1,3-diarylindene and 2,3-diarylindene ligands. J Med Chem. 2005 Sep 22;48(19):5989-6003.