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Compound Detail

CHEMBL36213

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COC(=O)/C=C1/C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)[O-].[Na+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL36213
Phase Preclinical
Structure Type MOL
InChI Key ADOSAVRGGNULEE-SGEGLBQASA-M
Parent Compound CHEMBL1204953
Active Moiety CHEMBL1204953
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

271.3
MW (Da)
0.23
ALogP
5
HBA
1
HBD
83.9
PSA (Ų)
0.44
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H12NNaO5S
MW 293.28
Aromatic Rings 0
Heavy Atoms 18
NP-Likeness 0.61

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(95)00249-S Beta-lactamase 2
- 10.1016/0960-894X(95)00249-S Beta-lactamase TEM 1

Data from ChEMBL 36 via Core Engine