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Compound Detail

CHEMBL293384

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C[C@@]1(CSc2nc3ccccc3s2)S[C@@H]2[C@@H](Br)C(=O)N2[C@H]1C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL293384
Phase Preclinical
Structure Type MOL
InChI Key WOFAABWEQYFPBT-JOXOIDLHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

445.4
MW (Da)
3.28
ALogP
6
HBA
1
HBD
70.5
PSA (Ų)
0.44
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H13BrN2O3S3
MW 445.39
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.72

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(95)00348-W Beta-lactamase 1 2

Data from ChEMBL 36 via Core Engine