Details of the Drug

General Information of Drug (ID: DMZCE18)

Drug Name
2-(3-hydroxyphenyl)-1,2'-spirobi[1H-indene]-5-ol
Synonyms CHEMBL24950; SCHEMBL6286195; BDBM50123206; 2-(3-hydroxyphenyl)-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): 0 Molecular Weight (mw) 326.4
Logarithm of the Partition Coefficient (xlogp) 5
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C23H18O2
IUPAC Name
2'-(3-hydroxyphenyl)spiro[1,3-dihydroindene-2,1'-indene]-5'-ol
Canonical SMILES
C1C2=CC=CC=C2CC13C4=C(C=C(C=C4)O)C=C3C5=CC(=CC=C5)O
InChI
InChI=1S/C23H18O2/c24-19-7-3-6-15(10-19)22-12-18-11-20(25)8-9-21(18)23(22)13-16-4-1-2-5-17(16)14-23/h1-12,24-25H,13-14H2
InChIKey
NBNSBPOETAKHET-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
9901869
TTD ID
D01SWO

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.