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Compound Detail

CHEMBL361610

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CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccccc2C(=O)O)cc(C)c1Br
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL361610
Phase Preclinical
Structure Type MOL
InChI Key GZSXLEGZLMZBNX-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

469.4
MW (Da)
3.74
ALogP
4
HBA
2
HBD
103.8
PSA (Ų)
0.64
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H21BrN2O5S
MW 469.36
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.54

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
15743201 10.1021/jm049141s Beta-ketoacyl-[acyl-carrier-protein] synthase III 1
17707951 10.1016/j.ejmech.2007.06.018 Beta-ketoacyl-[acyl-carrier-protein] synthase III 1

Data from ChEMBL 36 via Core Engine