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Compound Detail

CHEMBL593574

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N#Cc1ccc(Cn2cc(C=C3C(=O)NC(=O)NC3=O)c3ccccc32)cc1

Basic Information

ChEMBL ID CHEMBL593574
Phase Preclinical
Structure Type MOL
InChI Key UGGIKHBVNATJPW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

370.4
MW (Da)
2.31
ALogP
5
HBA
2
HBD
104.0
PSA (Ų)
0.55
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 C21H14N4O3
MW 370.37
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.39

Activity Summary

EC50 1 meas. best 5.01

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Nucleophosmin
CHEMBL5178
EC50 5.01 5.01 9700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Nucleophosmin EC50 = 9700.0 nM 5.01 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 7
20005706 10.1016/j.bmcl.2009.11.082 HT-29 1
26602084 10.1016/j.bmc.2015.10.019 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine