General Information of Drug (ID: DM4VADN)

Drug Name
N-Hydroxy-2-(4-phenoxy-benzenesulfonyl)benzamide
Synonyms CHEMBL575896; N-Hydroxy-2-(4-phenoxy-benzenesulfonyl)benzamide
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) 369.4
Logarithm of the Partition Coefficient (xlogp) 3
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C19H15NO5S
IUPAC Name
N-hydroxy-2-(4-phenoxyphenyl)sulfonylbenzamide
Canonical SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)S(=O)(=O)C3=CC=CC=C3C(=O)NO
InChI
InChI=1S/C19H15NO5S/c21-19(20-22)17-8-4-5-9-18(17)26(23,24)16-12-10-15(11-13-16)25-14-6-2-1-3-7-14/h1-13,22H,(H,20,21)
InChIKey
MYZHQACPXTZCJY-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10155934
TTD ID
D0S9OL

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.