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Compound Detail

CHEMBL2398284

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C/C(=N\Nc1nc2ccccc2s1)c1ccc(-c2ccc(Cl)c(C(=O)O)c2)[nH]1

Basic Information

ChEMBL ID CHEMBL2398284
Phase Preclinical
Structure Type MOL
InChI Key VLUBPHSIEZRWES-BHGWPJFGSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

410.9
MW (Da)
5.48
ALogP
5
HBA
3
HBD
90.4
PSA (Ų)
0.30
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H15ClN4O2S
MW 410.89
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.71

Activity Summary

IC50 1 meas. best 5.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Bcl-2-like protein 1
CHEMBL4625
IC50 5.82 5.82 1500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Bcl-2-like protein 1 IC50 = 1500.0 nM 5.82 Binding affinity to human GST-tagged Bcl-Xl by luminescence proximity assay 23767404

Literature References

PubMed DOI Target Context # Activities
23767404 10.1021/jm400556w Bcl-2-like protein 1 1

Data from ChEMBL 36 via Core Engine