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Compound Detail

CHEMBL5633747

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CN1C(=O)C(C(=O)Nc2cn(Cc3ccccc3)cn2)CCc2ccccc21

Basic Information

ChEMBL ID CHEMBL5633747
Phase Preclinical
Structure Type MOL
InChI Key RBPJDZXIGQTDNJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

374.4
MW (Da)
3.10
ALogP
4
HBA
1
HBD
67.2
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H22N4O2
MW 374.44
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.09

Activity Summary

Ki 1 meas. best 6.87

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Receptor-interacting serine/threonine-protein kinase 1
CHEMBL5464
Ki 6.87 6.87 134.9 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
38316369 10.1016/j.bmcl.2024.129643 Receptor-interacting serine/threonine-protein kinase 1 2

Data from ChEMBL 36 via Core Engine