Details of the Drug

General Information of Drug (ID: DM5JDH1)

Drug Name
SB-236049
Synonyms SB-236080; SB-238569; Tricyclic broad-spectrum metallo-beta-lactamase inhibitors, SmithKline Beecham
Indication
Disease Entry ICD 11 Status REF
Bacterial infection 1A00-1C4Z Terminated [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 287.22
Logarithm of the Partition Coefficient (xlogp) 1.7
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C14H9NO6
IUPAC Name
7,8-dihydroxy-3-methyl-10-oxochromeno[3,2-c]pyridine-9-carboxylic acid
Canonical SMILES
CC1=CC2=C(C=N1)C(=O)C3=C(O2)C=C(C(=C3C(=O)O)O)O
InChI
InChI=1S/C14H9NO6/c1-5-2-8-6(4-15-5)12(17)10-9(21-8)3-7(16)13(18)11(10)14(19)20/h2-4,16,18H,1H3,(H,19,20)
InChIKey
JQSDDXAUCUZICT-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
9860695
ChEBI ID
CHEMBL68708
TTD ID
D0P5NW
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Staphylococcus Beta-lactamase (Stap-coc blaZ) TTHI19T BLAC_STAAU Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Identification of a series of tricyclic natural products as potent broad-spectrum inhibitors of metallo-beta-lactamases. Antimicrob Agents Chemother. 2002 Jun;46(6):1880-6.