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Compound Detail

CHEMBL5567128

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O=C(NCCc1ccccc1Cl)c1cn(-c2ccccc2)nn1

Basic Information

ChEMBL ID CHEMBL5567128
Phase Preclinical
Structure Type MOL
InChI Key GTFFENXGBPVGOQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

326.8
MW (Da)
2.89
ALogP
4
HBA
1
HBD
59.8
PSA (Ų)
0.78
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H15ClN4O
MW 326.79
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -2.27

Activity Summary

IC50 1 meas. best 6.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Receptor-interacting serine/threonine-protein kinase 1
CHEMBL5464
IC50 6.6 6.6 250.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Receptor-interacting serine/threonine-protein kinase 1 IC50 = 250.0 nM 6.6 Inhibition of RIPK1 (unknown origin) 38199165

Literature References

PubMed DOI Target Context # Activities
38199165 10.1016/j.ejmech.2024.116123 Receptor-interacting serine/threonine-protein kinase 1 1
38199165 10.1016/j.ejmech.2024.116123 Receptor-interacting serine/threonine-protein kinase 3 1

Data from ChEMBL 36 via Core Engine