Details of the Drug

General Information of Drug (ID: DM50NKS)

Drug Name
N-hydroxy-2-(4-methoxyphenylsulfonamido)acetamide
Synonyms CHEMBL83508; N-Hydroxy-N~2~-[(4-Methoxyphenyl)sulfonyl]glycinamide; Hydroxamate 9; Z79; 3lk8; SCHEMBL7410575; BDBM11328; (4-Methoxyphenylsulfonylamino)acetohydroximic 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) 260.269
Logarithm of the Partition Coefficient (xlogp) -0.3
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C9H12N2O5S
IUPAC Name
N-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]acetamide
Canonical SMILES
COC1=CC=C(C=C1)S(=O)(=O)NCC(=O)NO
InChI
InChI=1S/C9H12N2O5S/c1-16-7-2-4-8(5-3-7)17(14,15)10-6-9(12)11-13/h2-5,10,13H,6H2,1H3,(H,11,12)
InChIKey
WLZISXXOYYGJNT-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10445302
TTD ID
D0XK7G

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]
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
TNF alpha converting enzyme (ADAM17) DTT ADAM17 3.03E-08 0.15 0.45
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

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.