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Compound Detail

CHEMBL4554124

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Cn1c(=O)n(CCC(C)(C)O)c2cc(Nc3ncnc(Cl)c3C#N)ccc21

Basic Information

ChEMBL ID CHEMBL4554124
Phase Preclinical
Structure Type MOL
InChI Key UTGRPSLQZLJOQN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

386.8
MW (Da)
2.56
ALogP
8
HBA
2
HBD
108.8
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H19ClN6O2
MW 386.84
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.20

Activity Summary

IC50 1 meas. best 5.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
B-cell lymphoma 6 protein
CHEMBL4105786
IC50 5.6 5.6 2500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
32275432 10.1021/acs.jmedchem.9b02076 B-cell lymphoma 6 protein 1
32275432 10.1021/acs.jmedchem.9b02076 No relevant target 1

Data from ChEMBL 36 via Core Engine