Details of the Drug

General Information of Drug (ID: DMZWIVJ)

Drug Name

N-hydroxy-2,3-bis(phenylsulfonamido)propanamide

Synonyms

CHEMBL496717; N-hydroxy-2,3-bis(phenylsulfonamido)propanamide

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)

399.4

Logarithm of the Partition Coefficient (xlogp)

0.4

Rotatable Bond Count (rotbonds)

8

Hydrogen Bond Donor Count (hbonddonor)

4

Hydrogen Bond Acceptor Count (hbondacc)

8

Chemical Identifiers

Formula: C15H17N3O6S2
IUPAC Name: 2,3-bis(benzenesulfonamido)-N-hydroxypropanamide
Canonical SMILES: C1=CC=C(C=C1)S(=O)(=O)NCC(C(=O)NO)NS(=O)(=O)C2=CC=CC=C2
InChI: InChI=1S/C15H17N3O6S2/c19-15(17-20)14(18-26(23,24)13-9-5-2-6-10-13)11-16-25(21,22)12-7-3-1-4-8-12/h1-10,14,16,18,20H,11H2,(H,17,19)
InChIKey: WBWFDDZAXKMHEG-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-21 (MMP-21)	TTYRF5E	MMP21_HUMAN	Inhibitor	[1]
Matrix metalloproteinase-7 (MMP-7)	TTMTWOS	MMP7_HUMAN	Inhibitor	[1]
Matrix metalloproteinase-9 (MMP-9)	TT6X50U	MMP9_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
Matrix metalloproteinase-7 (MMP-7)	DTT	MMP7	4.87E-01	-0.2	-0.57

Molecular Expression Atlas (MEA)

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References

1	Novel bis-(arylsulfonamide) hydroxamate-based selective MMP inhibitors. Bioorg Med Chem Lett. 2008 Jun 1;18(11):3333-7.