Details of the Drug

General Information of Drug (ID: DMCNV5J)

Drug Name
2-(Biphenyl-4-ylsulfonyl)N-hydroxybenzamide
Synonyms CHEMBL574589; 2-(Biphenyl-4-ylsulfonyl)N-hydroxybenzamide
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) 353.4
Logarithm of the Partition Coefficient (xlogp) 3.1
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C19H15NO4S
IUPAC Name
N-hydroxy-2-(4-phenylphenyl)sulfonylbenzamide
Canonical SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)C3=CC=CC=C3C(=O)NO
InChI
InChI=1S/C19H15NO4S/c21-19(20-22)17-8-4-5-9-18(17)25(23,24)16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13,22H,(H,20,21)
InChIKey
WQRJSSRVHCJAKB-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
44478925
ChEBI ID
CHEMBL574589
TTD ID
D05THD
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Matrix metalloproteinase-12 (MMP-12) TTXZ0KQ MMP12_HUMAN Inhibitor [1]
Matrix metalloproteinase-13 (MMP-13) TTHY57M MMP13_HUMAN Inhibitor [1]
Matrix metalloproteinase-14 (MMP-14) TTJ4QE7 MMP14_HUMAN Inhibitor [1]
Matrix metalloproteinase-2 (MMP-2) TTLM12X MMP2_HUMAN Inhibitor [1]
Matrix metalloproteinase-21 (MMP-21) TTYRF5E MMP21_HUMAN Inhibitor [1]
Matrix metalloproteinase-8 (MMP-8) TTGA1IV MMP8_HUMAN Inhibitor [1]
Matrix metalloproteinase-9 (MMP-9) TT6X50U MMP9_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Design, synthesis, biological evaluation, and NMR studies of a new series of arylsulfones as selective and potent matrix metalloproteinase-12 inhib... J Med Chem. 2009 Oct 22;52(20):6347-61.