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Compound Detail

CHEMBL3197745

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Cc1ccc(S(=O)(=O)N/N=C/c2cc(Br)ccc2O)cc1

Basic Information

ChEMBL ID CHEMBL3197745
Phase Preclinical
Structure Type MOL
InChI Key PBEIAQYKTXKQGF-CXUHLZMHSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

369.2
MW (Da)
2.78
ALogP
4
HBA
2
HBD
78.8
PSA (Ų)
0.64
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 C14H13BrN2O3S
MW 369.24
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.41

Activity Summary

IC50 1 meas. best 6.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RNA-binding protein 39
CHEMBL4680031
IC50 6.4 6.4 400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
RNA-binding protein 39 IC50 = 400.0 nM 6.4 Inhibition of RBM39 (unknown origin) 37984298

Literature References

PubMed DOI Target Context # Activities
25127462 10.1016/j.bmc.2014.07.022 Candida albicans 1
25127462 10.1016/j.bmc.2014.07.022 Nakaseomyces glabratus 1
37984298 10.1016/j.ejmech.2023.115950 RNA-binding protein 39 1

Data from ChEMBL 36 via Core Engine