Details of the Drug

General Information of Drug (ID: DM5KU30)

Drug Name

BAL-30072

Synonyms

UNII-LY97ZJM4QX; BAL30072; LY97ZJM4QX; CHEMBL1256967; BAL-30072; 941285-15-0; BAL 30072; SCHEMBL13318507; BDBM50327179; 4-Thiazoleacetamide, 2-amino-alpha-(((1,4-dihydro-1,5-dihydroxy-4-oxo-2-pyridinyl)methoxy)imino)-N-((3S)-2,2-dimethyl-4-oxo-1-(Sulfooxy)-3-azetidinyl)-, (alphaz)-; (S)-3-(2-(2-aminothiazol-4-yl)-2-((1,5-dihydroxy-4-oxo-1,4-dihydropyridin-2-yl)methoxyimino)acetamido)-2,2-dimethyl-4-oxoazetidin-1-yl hydrogen sulfate

Indication

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

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 2

Molecular Weight (mw)

518.5

Logarithm of the Partition Coefficient (xlogp)

-1

Rotatable Bond Count (rotbonds)

8

Hydrogen Bond Donor Count (hbonddonor)

5

Hydrogen Bond Acceptor Count (hbondacc)

15

Chemical Identifiers

Formula: C16H18N6O10S2
IUPAC Name: [(3S)-3-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-[(1,5-dihydroxy-4-oxopyridin-2-yl)methoxyimino]acetyl]amino]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate
Canonical SMILES: CC1([C@@H](C(=O)N1OS(=O)(=O)O)NC(=O)/C(=N/OCC2=CC(=O)C(=CN2O)O)/C3=CSC(=N3)N)C
InChI: InChI=1S/C16H18N6O10S2/c1-16(2)12(14(26)22(16)32-34(28,29)30)19-13(25)11(8-6-33-15(17)18-8)20-31-5-7-3-9(23)10(24)4-21(7)27/h3-4,6,12,24,27H,5H2,1-2H3,(H2,17,18)(H,19,25)(H,28,29,30)/b20-11+/t12-/m1/s1
InChIKey: KLFSEZJCLYBFKQ-ZICWZVMQSA-N

Cross-matching ID

PubChem CID: 135905457
TTD ID: D07PRC

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Bacterial Penicillin binding protein (Bact PBP)	TTJP4SM	NOUNIPROTAC	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 800032341)
2	In vitro properties of BAL30072, a novel siderophore sulfactam with activity against multiresistant gram-negative bacilli. Antimicrob Agents Chemother. 2010 Jun;54(6):2291-302.