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Compound Detail

CHEMBL123270

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Cc1ccc(C(=O)O)cc1N1CC(Br)(Br)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL123270
Phase Preclinical
Structure Type MOL
InChI Key YMQXBQIBJGRFFO-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

363.0
MW (Da)
2.53
ALogP
2
HBA
1
HBD
57.6
PSA (Ų)
0.65
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 C11H9Br2NO3
MW 363.00
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -0.36

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
3257523 10.1021/jm00397a018 Beta-lactamase TEM 1

Data from ChEMBL 36 via Core Engine