Compound Detail
CHEMBL5569586
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Basic Information
| ChEMBL ID | CHEMBL5569586 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VSFPWOYQHAARGK-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
3
PK Parameters
7
Publications
0
Known Names
Molecular Properties
419.4
MW (Da)
5.39
ALogP
3
HBA
2
HBD
57.8
PSA (Ų)
0.44
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase ULK1 CHEMBL6006 | IC50 | 8.1 | 7.6333 | 7.9 | 3 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 6.0 | mL.min-1.g-1 | Homo sapiens |
| CL | 6.0 | mL.min-1.g-1 | Mus musculus |
| CL | 6.0 | mL.min-1.g-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase ULK1 | IC50 | = | 7.943 | nM | 8.1 | Binding affinity to GST tagged ULK1 kinase domain (1 to 283 residues) (unknown o... | 38232465 |
| Serine/threonine-protein kinase ULK1 | IC50 | = | 39.81 | nM | 7.4 | Inhibition of ULK1 kinase domain (1 to 283 residues) (unknown origin) expressed ... | 38232465 |
| Serine/threonine-protein kinase ULK1 | IC50 | = | 39.81 | nM | 7.4 | Inhibition of NanoLuc fused ULK1 (unknown origin) transfected in NCI-H2030 cells... | 38232465 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38232465 | 10.1016/j.ejmech.2023.116101 | Serine/threonine-protein kinase ULK1 | 4 |
| 38232465 | 10.1016/j.ejmech.2023.116101 | ADMET | 3 |
| 38232465 | 10.1016/j.ejmech.2023.116101 | No relevant target | 2 |
| 38232465 | 10.1016/j.ejmech.2023.116101 | Cytochrome P450 1A2 | 1 |
| 38232465 | 10.1016/j.ejmech.2023.116101 | Cytochrome P450 2C9 | 1 |
| 38232465 | 10.1016/j.ejmech.2023.116101 | Cytochrome P450 2D6 | 1 |
| 38232465 | 10.1016/j.ejmech.2023.116101 | Cytochrome P450 3A4 | 1 |
Data from ChEMBL 36 via Core Engine