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Compound Detail

CHEMBL3589689

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Cc1c(C=C2C(=O)NC(=S)NC2=O)c2ccccc2n1Cc1ccc(Br)cc1

Basic Information

ChEMBL ID CHEMBL3589689
Phase Preclinical
Structure Type MOL
InChI Key SCEGFUSFDRBYJA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

454.4
MW (Da)
3.67
ALogP
4
HBA
2
HBD
63.1
PSA (Ų)
0.36
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H16BrN3O2S
MW 454.35
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.24

Activity Summary

EC50 1 meas. best 5.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Nucleophosmin
CHEMBL5178
EC50 5.6 5.6 2500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Nucleophosmin EC50 = 2500.0 nM 5.6 Inhibition of phosphorylated NPM1 recruitment to chromatic in 6 Gy irradiated hu... 25922180

Literature References

PubMed DOI Target Context # Activities
25922180 10.1016/j.bmc.2015.04.018 Nucleophosmin 3
26602084 10.1016/j.bmc.2015.10.019 NON-PROTEIN TARGET 2
25922180 10.1016/j.bmc.2015.04.018 NCI-H460 1

Data from ChEMBL 36 via Core Engine