Details of the Drug

General Information of Drug (ID: DMBC12X)

Drug Name

BRL-42715

Synonyms

Brl 42715; Brl-42715; C6-(N1-Methyl-1,2,3-trazolylmethylene)penem; 4-Thia-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 6-((1-methyl-1H-1,2,3-triazol-4-yl)methylene)-7-oxo-, sodium salt, (R-(Z))-; 102209-75-6

Indication

Disease Entry	ICD 11	Status	REF
Bacterial infection	1A00-1C4Z	Terminated	[1]
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Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski):
0

Molecular Weight

286.24

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

2

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

6

Chemical Identifiers

Formula: C10H7N4NaO3S
IUPAC Name: sodium;(5R,6Z)-6-[(1-methyltriazol-4-yl)methylidene]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
Canonical SMILES: CN1C=C(N=N1)/C=C/2\\[C@@H]3N(C2=O)C(=CS3)C(=O)[O-].[Na+]
InChI: InChI=1S/C10H8N4O3S.Na/c1-13-3-5(11-12-13)2-6-8(15)14-7(10(16)17)4-18-9(6)14;/h2-4,9H,1H3,(H,16,17);/q;+1/p-1/b6-2-;/t9-;/m1./s1
InChIKey: OMJBLZMKGVWHQP-VKVLVNHFSA-M

Cross-matching ID

PubChem CID: 23705463
TTD ID: D08VWL

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	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800001128)
2	In vitro evaluation of BRL 42715, a novel beta-lactamase inhibitor. Antimicrob Agents Chemother. 1989 Sep;33(9):1580-7.