Details of the Drug

General Information of Drug (ID: DM3PWK7)

Drug Name

2-(biphenyl-4-ylsulfonamido)-N-hydroxyacetamide

Synonyms

CHEMBL550148; 2-(biphenyl-4-ylsulfonamido)-N-hydroxyacetamide; 3f17; BDBM50294120

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)

306.34

Logarithm of the Partition Coefficient (xlogp)

1.4

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C14H14N2O4S
IUPAC Name: N-hydroxy-2-[(4-phenylphenyl)sulfonylamino]acetamide
Canonical SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)NCC(=O)NO
InChI: InChI=1S/C14H14N2O4S/c17-14(16-18)10-15-21(19,20)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,15,18H,10H2,(H,16,17)
InChIKey: NKGRTRASISLCCZ-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Matrix metalloproteinase-14 (MMP-14)	TTJ4QE7	MMP14_HUMAN	Inhibitor	[1]
TNF alpha converting enzyme (ADAM17)	TT6AZXG	ADA17_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

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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
TNF alpha converting enzyme (ADAM17)	DTT	ADAM17	3.03E-08	0.15	0.45

Molecular Expression Atlas (MEA)

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References

1	Potent arylsulfonamide inhibitors of tumor necrosis factor-alpha converting enzyme able to reduce activated leukocyte cell adhesion molecule sheddi... J Med Chem. 2010 Mar 25;53(6):2622-35.