Details of the Drug

General Information of Drug (ID: DMFQZOI)

Drug Name
4-(2-phenyl-1H-benzo[d]imidazol-1-yl)phenol
Synonyms CHEMBL200483; 4-(2-phenyl-1H-benzo[d]imidazol-1-yl)phenol; SCHEMBL6440186
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) 286.3
Logarithm of the Partition Coefficient (xlogp) 4.4
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C19H14N2O
IUPAC Name
4-(2-phenylbenzimidazol-1-yl)phenol
Canonical SMILES
C1=CC=C(C=C1)C2=NC3=CC=CC=C3N2C4=CC=C(C=C4)O
InChI
InChI=1S/C19H14N2O/c22-16-12-10-15(11-13-16)21-18-9-5-4-8-17(18)20-19(21)14-6-2-1-3-7-14/h1-13,22H
InChIKey
MXMPRHRVFXJSFN-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
44405888
TTD ID
D0I5HZ

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.