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Compound Detail

CHEMBL5288376

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CN1CCc2cc(Nc3ncc(C4CC4)c(NCCCNC(=O)C4CC4)n3)ccc2C1

Basic Information

ChEMBL ID CHEMBL5288376
Phase Preclinical
Structure Type MOL
InChI Key MGCUCAILCSYREM-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

420.6
MW (Da)
3.41
ALogP
6
HBA
3
HBD
82.2
PSA (Ų)
0.54
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H32N6O
MW 420.56
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -1.28

Activity Summary

IC50 2 meas. best 7.42

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase ULK2
CHEMBL5435
IC50 7.42 7.42 38.0 1
Serine/threonine-protein kinase ULK1
CHEMBL6006
IC50 7.35 7.35 45.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
36283182 10.1016/j.ejmech.2022.114846 Serine/threonine-protein kinase ULK1 1
36283182 10.1016/j.ejmech.2022.114846 Serine/threonine-protein kinase ULK2 1
36283182 10.1016/j.ejmech.2022.114846 Unchecked 1

Data from ChEMBL 36 via Core Engine