Compound Detail
CHEMBL4516990
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Basic Information
| ChEMBL ID | CHEMBL4516990 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KKISLZKMBSCLSS-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
434.6
MW (Da)
3.80
ALogP
6
HBA
3
HBD
82.2
PSA (Ų)
0.52
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 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 | 3 |
| Serine/threonine-protein kinase ULK1 CHEMBL6006 | IC50 | 8.54 | 8.54 | 2.9 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase ULK2 | IC50 | = | 1.1 | nM | 8.96 | Inhibition of ULK2 (unknown origin) after 5 mins in presence of gamma-[32]P-ATP ... | 29211480 |
| Serine/threonine-protein kinase ULK2 | IC50 | = | 1.1 | nM | 8.96 | Inhibition of human ULK2 by discoverX kinome scan assay | 38295689 |
| Serine/threonine-protein kinase ULK2 | IC50 | = | 1.1 | nM | 8.96 | Inhibition of ULK2 (unknown origin) | 38432059 |
| Serine/threonine-protein kinase ULK1 | IC50 | = | 2.9 | nM | 8.54 | Inhibition of wild type GST-tagged ULK1 (unknown origin) after 5 mins in presenc... | 29211480 |
| Serine/threonine-protein kinase ULK1 | IC50 | = | 2.9 | nM | 8.54 | Inhibition of human ULK1 by discoverX kinome scan assay | 38295689 |
| Serine/threonine-protein kinase ULK1 | IC50 | = | 2.9 | nM | 8.54 | Inhibition of ULK1 (unknown origin) | 38432059 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29211480 | 10.1021/acs.jmedchem.7b01019 | Serine/threonine-protein kinase ULK2 | 1 |
| 29211480 | 10.1021/acs.jmedchem.7b01019 | Serine/threonine-protein kinase ULK1 | 1 |
| 38295689 | 10.1016/j.ejmech.2023.116117 | Serine/threonine-protein kinase ULK1 | 1 |
| 38295689 | 10.1016/j.ejmech.2023.116117 | Serine/threonine-protein kinase ULK2 | 1 |
| 38432059 | 10.1016/j.ejmech.2024.116273 | Serine/threonine-protein kinase ULK1 | 1 |
| 38432059 | 10.1016/j.ejmech.2024.116273 | Serine/threonine-protein kinase ULK2 | 1 |
Data from ChEMBL 36 via Core Engine