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Compound Detail

CHEMBL4531272

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CN(C)c1ncc(Cl)c(Nc2ccc3c(c2)n(CCC(C)(C)O)c(=O)n3C)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4531272
Phase Preclinical
Structure Type MOL
InChI Key ATUDLDZIMRMEEF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

404.9
MW (Da)
2.75
ALogP
8
HBA
2
HBD
88.2
PSA (Ų)
0.66
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H25ClN6O2
MW 404.90
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.22

Activity Summary

IC50 1 meas. best 5.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
B-cell lymphoma 6 protein
CHEMBL4105786
 IC50 5.92 5.92 1200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
B-cell lymphoma 6 protein IC50 = 1200.0 nM 5.92 Inhibition of recombinant His-tagged human BCL6 expressed in Escherichia coli BL... 32275432

Literature References

PubMed DOI Target Context # Activities
32275432 10.1021/acs.jmedchem.9b02076 B-cell lymphoma 6 protein 2
32275432 10.1021/acs.jmedchem.9b02076 No relevant target 1
32275432 10.1021/acs.jmedchem.9b02076 BCL-6/NCOR2 1

Data from ChEMBL 36 via Core Engine