Details of the Drug

General Information of Drug (ID: DMFXA8P)

Drug Name
[1,1':2',1'']Terphenyl-4'-carbaldehyde oxime
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) 273.3
Logarithm of the Partition Coefficient (xlogp) 4.9
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C19H15NO
IUPAC Name
(NE)-N-[(3,4-diphenylphenyl)methylidene]hydroxylamine
Canonical SMILES
C1=CC=C(C=C1)C2=C(C=C(C=C2)/C=N/O)C3=CC=CC=C3
InChI
InChI=1S/C19H15NO/c21-20-14-15-11-12-18(16-7-3-1-4-8-16)19(13-15)17-9-5-2-6-10-17/h1-14,21H/b20-14+
InChIKey
XSIHFOOFJWBVHK-XSFVSMFZSA-N
Cross-matching ID
PubChem CID
11780703
ChEBI ID
CHEMBL335465
TTD ID
D00HUB

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 Novel estrogen receptor ligands based on an anthranylaldoxime structure: role of the phenol-type pseudocycle in the binding process. J Med Chem. 2003 Sep 11;46(19):4032-42.