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Compound Detail

CHEMBL4473868

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CCCCn1c(=O)n(C)c2ccc(Nc3ccnc(Cl)c3C#N)cc21

Basic Information

ChEMBL ID CHEMBL4473868
Phase Preclinical
Structure Type MOL
InChI Key WLZYXCPRKPHHOM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

355.8
MW (Da)
3.80
ALogP
6
HBA
1
HBD
75.6
PSA (Ų)
0.71
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 C18H18ClN5O
MW 355.83
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.76

Activity Summary

IC50 1 meas. best 5.18

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
B-cell lymphoma 6 protein
CHEMBL4105786
IC50 5.18 5.18 6600.0 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