Details of the Drug

General Information of Drug (ID: DMQXD0N)

Drug Name
3-Benzenesulfinyl-heptanoic acid hydroxyamide
Synonyms CHEMBL75433; 3-Benzenesulfinyl-heptanoic acid hydroxyamide; BDBM50089197
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) 269.36
Logarithm of the Partition Coefficient (xlogp) 1.6
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C13H19NO3S
IUPAC Name
3-(benzenesulfinyl)-N-hydroxyheptanamide
Canonical SMILES
CCCCC(CC(=O)NO)S(=O)C1=CC=CC=C1
InChI
InChI=1S/C13H19NO3S/c1-2-3-7-12(10-13(15)14-16)18(17)11-8-5-4-6-9-11/h4-6,8-9,12,16H,2-3,7,10H2,1H3,(H,14,15)
InChIKey
SQIUCETXNXHTSW-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
9816867
ChEBI ID
CHEMBL75433
TTD ID
D02BTV
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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]
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.