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Compound Detail

CHEMBL3601879

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CC(=O)n1cc(Br)c(=O)[nH]c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3601879
Phase Preclinical
Structure Type MOL
InChI Key SARYPENZOQCONP-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

233.0
MW (Da)
-0.04
ALogP
4
HBA
1
HBD
71.9
PSA (Ų)
0.68
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C6H5BrN2O3
MW 233.02
Aromatic Rings 1
Heavy Atoms 12
NP-Likeness -0.79

Activity Summary

Ki 2 meas.

Literature References

PubMed DOI Target Context # Activities
26073005 10.1016/j.bmcl.2015.05.073 Carbonic anhydrase 1 2
26073005 10.1016/j.bmcl.2015.05.073 Carbonic anhydrase 2 1

Data from ChEMBL 36 via Core Engine