Details of the Drug

General Information of Drug (ID: DM7XDCF)

Drug Name
3-Benzenesulfonyl-heptanoic acid hydroxyamide
Synonyms CHEMBL263501; 3-Benzenesulfonyl-heptanoic acid hydroxyamide; BDBM50089196
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) 285.36
Logarithm of the Partition Coefficient (xlogp) 1.8
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C13H19NO4S
IUPAC Name
3-(benzenesulfonyl)-N-hydroxyheptanamide
Canonical SMILES
CCCCC(CC(=O)NO)S(=O)(=O)C1=CC=CC=C1
InChI
InChI=1S/C13H19NO4S/c1-2-3-7-12(10-13(15)14-16)19(17,18)11-8-5-4-6-9-11/h4-6,8-9,12,16H,2-3,7,10H2,1H3,(H,14,15)
InChIKey
TUUMURVUDGZZQZ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
9838786
ChEBI ID
CHEMBL263501
TTD ID
D08ELY
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-1 (MMP-1) TTMX39J MMP1_HUMAN Inhibitor [1]
Matrix metalloproteinase-12 (MMP-12) TTXZ0KQ MMP12_HUMAN Inhibitor [1]
Matrix metalloproteinase-13 (MMP-13) TTHY57M MMP13_HUMAN Inhibitor [1]
Matrix metalloproteinase-7 (MMP-7) TTMTWOS MMP7_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Hydroxamic acid derivatives as potent peptide deformylase inhibitors and antibacterial agents. J Med Chem. 2000 Jun 15;43(12):2324-31.