Details of the Drug

General Information of Drug (ID: DMSO7FW)

Drug Name

N-(Biphenyl-4-yl)-2-cyano-3-hydroxybut-2-enamide

Synonyms

(2z)-N-Biphenyl-4-Yl-2-Cyano-3-Hydroxybut-2-Enamide; CHEMBL519160; DB07443; (2Z)-2-cyano-3-hydroxy-N-(4-phenylphenyl)but-2-enamide

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

278.3

Logarithm of the Partition Coefficient (xlogp)

4

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C17H14N2O2
IUPAC Name: (Z)-2-cyano-3-hydroxy-N-(4-phenylphenyl)but-2-enamide
Canonical SMILES: C/C(=C(\\C#N)/C(=O)NC1=CC=C(C=C1)C2=CC=CC=C2)/O
InChI: InChI=1S/C17H14N2O2/c1-12(20)16(11-18)17(21)19-15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,20H,1H3,(H,19,21)/b16-12-
InChIKey: MUVPBAIVOHJDOC-VBKFSLOCSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Plasmodium Dihydroorotate dehydrogenase (Malaria DHOdehase)	TT3PQ2Y	PYRD_PLAF7	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Structure-based design, synthesis, and characterization of inhibitors of human and Plasmodium falciparum dihydroorotate dehydrogenases. J Med Chem. 2009 May 14;52(9):2683-93.