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Compound Detail

CHEMBL5266681

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O=C(NCCCNc1nc(Nc2cccc(CN3CCOCC3)c2)ncc1C1CC1)C1CC1

Basic Information

ChEMBL ID CHEMBL5266681
Phase Preclinical
Structure Type MOL
InChI Key UEZRAYLQPKCVRW-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

450.6
MW (Da)
3.26
ALogP
7
HBA
3
HBD
91.4
PSA (Ų)
0.45
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H34N6O2
MW 450.59
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness -1.69

Activity Summary

IC50 2 meas. best 8.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase ULK2
CHEMBL5435
IC50 8.96 8.96 1.1 1
Serine/threonine-protein kinase ULK1
CHEMBL6006
IC50 8.54 8.54 2.9 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