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Compound Detail

CHEMBL4074632

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NC(=O)c1ccc(Nc2ccc3[nH]c(=O)[nH]c3c2)c(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4074632
Phase Preclinical
Structure Type MOL
InChI Key KFAKXGZEDNIJHF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

302.7
MW (Da)
2.35
ALogP
3
HBA
4
HBD
103.8
PSA (Ų)
0.60
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 C14H11ClN4O2
MW 302.72
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.75

Activity Summary

IC50 1 meas. best 4.37

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
BCoR-BCL6
CHEMBL4106125
 IC50 4.37 4.37 43000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
BCoR-BCL6 IC50 = 43000.0 nM 4.37 Inhibition of C-terminal biotin-labelled BCoR/wild-type BCL6 BTB domain (unknown... 28760529

Literature References

PubMed DOI Target Context # Activities
28760529 10.1016/j.bmc.2017.07.037 BCoR-BCL6 1

Data from ChEMBL 36 via Core Engine