Details of the Drug

General Information of Drug (ID: DMP8G3C)

Drug Name
2-phenyl-1,2'-spirobi[1H-indene]-5'-ol
Synonyms CHEMBL439806; SCHEMBL6283895; BDBM50123212; 2-phenyl-1,2''-spirobi[1H-indene]-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): 1 Molecular Weight (mw) 310.4
Logarithm of the Partition Coefficient (xlogp) 5.3
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C23H18O
IUPAC Name
2'-phenylspiro[1,3-dihydroindene-2,1'-indene]-5-ol
Canonical SMILES
C1C2=C(CC13C4=CC=CC=C4C=C3C5=CC=CC=C5)C=C(C=C2)O
InChI
InChI=1S/C23H18O/c24-20-11-10-18-14-23(15-19(18)12-20)21-9-5-4-8-17(21)13-22(23)16-6-2-1-3-7-16/h1-13,24H,14-15H2
InChIKey
SGBUUCIHANKAQI-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
12133211
TTD ID
D0O2KP

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 2-Phenylspiroindenes: a novel class of selective estrogen receptor modulators (SERMs). Bioorg Med Chem Lett. 2003 Feb 10;13(3):479-83.