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Compound Detail

CHEMBL5632937

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Cc1ccc(Nc2ncnc3cnc(/C=C/c4ccc(Cl)cc4)cc23)cn1

Basic Information

ChEMBL ID CHEMBL5632937
Phase Preclinical
Structure Type MOL
InChI Key GDANGPXOFKSTJT-WEVVVXLNSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

373.9
MW (Da)
5.30
ALogP
5
HBA
1
HBD
63.6
PSA (Ų)
0.53
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H16ClN5
MW 373.85
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -1.13

Activity Summary

IC50 2 meas. best 7.12

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Receptor-interacting serine/threonine-protein kinase 3
CHEMBL1795199
IC50 7.12 7.12 76.0 1
Receptor-interacting serine/threonine-protein kinase 1
CHEMBL5464
IC50 6.16 6.16 700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
37494773 10.1016/j.ejmech.2023.115635 Mixed lineage kinase domain-like protein 1
37494773 10.1016/j.ejmech.2023.115635 HT-29 1
37494773 10.1016/j.ejmech.2023.115635 Receptor-interacting serine/threonine-protein kinase 1 1
37494773 10.1016/j.ejmech.2023.115635 Receptor-interacting serine/threonine-protein kinase 3 1

Data from ChEMBL 36 via Core Engine