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Compound Detail

CHEMBL5274568

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Nc1ccc(Nc2nc(Nc3cc(C4CC4)[nH]n3)c3ccccc3n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5274568
Phase Preclinical
Structure Type MOL
InChI Key CWKAMSLBSGZMJZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

357.4
MW (Da)
4.30
ALogP
6
HBA
4
HBD
104.5
PSA (Ų)
0.40
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H19N7
MW 357.42
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -1.31

Activity Summary

IC50 1 meas. best 6.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase ULK1
CHEMBL6006
 IC50 6.8 6.8 160.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Serine/threonine-protein kinase ULK1 IC50 = 160.0 nM 6.8 Inhibition of ULK1 (unknown origin) 36283182

Literature References

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

Data from ChEMBL 36 via Core Engine