Details of the Drug

General Information of Drug (ID: DMCPSE9)

Drug Name
4-(2-phenyl-1H-indol-3-yl)phenol
Synonyms CHEMBL371012; 4-(2-phenyl-1H-indol-3-yl)phenol; SCHEMBL7041571; OITCYCYIUVYFKQ-UHFFFAOYSA-N; BDBM50175419; 4-(2-Phenyl-1H-indol-3-yl)-phenol
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) 285.3
Logarithm of the Partition Coefficient (xlogp) 5
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C20H15NO
IUPAC Name
4-(2-phenyl-1H-indol-3-yl)phenol
Canonical SMILES
C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)C4=CC=C(C=C4)O
InChI
InChI=1S/C20H15NO/c22-16-12-10-14(11-13-16)19-17-8-4-5-9-18(17)21-20(19)15-6-2-1-3-7-15/h1-13,21-22H
InChIKey
OITCYCYIUVYFKQ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
13896065
TTD ID
D0K0IC

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 Estrogen receptor beta selective ligands: discovery and SAR of novel heterocyclic ligands. Bioorg Med Chem Lett. 2005 Dec 15;15(24):5562-6.