Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL3605055

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
c1ccc2c(Nc3cc(C4CCC4)[nH]n3)nc(Nc3ccc4[nH]cnc4c3)nc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3605055
Phase Preclinical
Structure Type MOL
InChI Key DLCOOKRUECVLCI-UHFFFAOYSA-N
3
Targets
7
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

396.5
MW (Da)
4.98
ALogP
6
HBA
4
HBD
107.2
PSA (Ų)
0.33
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H20N8
MW 396.46
Aromatic Rings 5
Heavy Atoms 30
NP-Likeness -1.50

Activity Summary

IC50 7 meas. best 8.28

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase ULK1
CHEMBL6006
 IC50 8.28 8.136 5.3 5
Serine/threonine-protein kinase ULK2
CHEMBL5435
 IC50 7.89 7.89 13.0 1
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial
CHEMBL4766
 IC50 6.38 6.38 420.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Serine/threonine-protein kinase ULK1 IC50 = 5.3 nM 8.28 Inhibition of SUMO-tagged ULK1 (unknown origin) kinase domain expressed in KRX c... 26275681
Serine/threonine-protein kinase ULK1 IC50 = 8.0 nM 8.1 Inhibition of N-terminal SUMO-tagged ULK1 kinase domain (1 to 283 residues) (unk... 29509411
Serine/threonine-protein kinase ULK1 IC50 = 8.0 nM 8.1 Inhibition of ULK1 (unknown origin) by 32P-ATP radio active assay 32961380
Serine/threonine-protein kinase ULK1 IC50 = 8.0 nM 8.1 Inhibition of ULK1 (unknown origin) 36283182
Serine/threonine-protein kinase ULK1 IC50 = 8.0 nM 8.1 Inhibition of N-terminal Sumo-tagged ULK1 (1 to 283 residues) (unknown origin) i... 38432059
Serine/threonine-protein kinase ULK2 IC50 = 13.0 nM 7.89 Inhibition of SUMO-tagged ULK2 (unknown origin) kinase domain expressed in KRX c... 26275681
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial IC50 = 420.0 nM 6.38 Inhibition of recombinant PDK1 (unknown origin) using PDK1tide substrate incubat... 26275681

Literature References

PubMed DOI Target Context # Activities
26275681 10.1016/j.bmc.2015.07.034 Serine/threonine-protein kinase PAK 4 1
38432059 10.1016/j.ejmech.2024.116273 Serine/threonine-protein kinase ULK1 1
26275681 10.1016/j.bmc.2015.07.034 Serine/threonine-protein kinase ULK2 1
26275681 10.1016/j.bmc.2015.07.034 [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial 1
26275681 10.1016/j.bmc.2015.07.034 Calcium/calmodulin-dependent protein kinase type 1 1
26275681 10.1016/j.bmc.2015.07.034 Serine/threonine-protein kinase N2 1
26275681 10.1016/j.bmc.2015.07.034 Receptor-interacting serine/threonine-protein kinase 2 1
26275681 10.1016/j.bmc.2015.07.034 SRSF protein kinase 1 1
26275681 10.1016/j.bmc.2015.07.034 Glycogen synthase kinase-3 beta 1
26275681 10.1016/j.bmc.2015.07.034 Tyrosine-protein kinase SYK 1
26275681 10.1016/j.bmc.2015.07.034 Tyrosine-protein kinase BTK 1
26275681 10.1016/j.bmc.2015.07.034 Mitogen-activated protein kinase kinase kinase 11 1
26275681 10.1016/j.bmc.2015.07.034 Serine/threonine-protein kinase TBK1 1
26275681 10.1016/j.bmc.2015.07.034 Serine/threonine-protein kinase Chk2 1
26275681 10.1016/j.bmc.2015.07.034 Serine/threonine-protein kinase Sgk1 1
26275681 10.1016/j.bmc.2015.07.034 Interleukin-1 receptor-associated kinase 4 1
26275681 10.1016/j.bmc.2015.07.034 Ribosomal protein S6 kinase alpha-1 1
26275681 10.1016/j.bmc.2015.07.034 Unchecked 1
26275681 10.1016/j.bmc.2015.07.034 Insulin-like growth factor 1 receptor 1
26275681 10.1016/j.bmc.2015.07.034 Proto-oncogene tyrosine-protein kinase Src 1

Data from ChEMBL 36 via Core Engine