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]
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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

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]

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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.