Details of the Drug

General Information of Drug (ID: DMHSAOQ)

Drug Name
3-Biphenyl-3-yl-N-hydroxy-N-methyl-acrylamide
Synonyms CHEMBL177549; 3-Biphenyl-3-yl-N-hydroxy-N-methyl-acrylamide; SCHEMBL10876301; BDBM50015161; (E)-3-[3-Phenylphenyl]-N-methyl-2-propenehydroxamic acid
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) 253.29
Logarithm of the Partition Coefficient (xlogp) 2.9
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C16H15NO2
IUPAC Name
(E)-N-hydroxy-N-methyl-3-(3-phenylphenyl)prop-2-enamide
Canonical SMILES
CN(C(=O)/C=C/C1=CC(=CC=C1)C2=CC=CC=C2)O
InChI
InChI=1S/C16H15NO2/c1-17(19)16(18)11-10-13-6-5-9-15(12-13)14-7-3-2-4-8-14/h2-12,19H,1H3/b11-10+
InChIKey
CXMSWAWAJRLYBE-ZHACJKMWSA-N
Cross-matching ID
PubChem CID
13746841
TTD ID
D09WYM

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Arachidonate 5-lipoxygenase (5-LOX) TT2J34L LOX5_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Arachidonate 5-lipoxygenase (5-LOX) DTT ALOX5 4.15E-01 -0.06 -0.15
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Hydroxamic acid inhibitors of 5-lipoxygenase: quantitative structure-activity relationships. J Med Chem. 1990 Mar;33(3):992-8.