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Compound Detail

CHEMBL4556362

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Cn1c(=O)n(CCC(C)(C)O)c2cc(Nc3c(Cl)cncc3Cl)ccc21

Basic Information

ChEMBL ID CHEMBL4556362
Phase Preclinical
Structure Type MOL
InChI Key LVTNWWJDTUVCBK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

395.3
MW (Da)
3.95
ALogP
6
HBA
2
HBD
72.1
PSA (Ų)
0.69
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 C18H20Cl2N4O2
MW 395.29
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.88

Activity Summary

IC50 1 meas. best 4.43

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
B-cell lymphoma 6 protein
CHEMBL4105786
IC50 4.43 4.43 37000.0 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