Compound Detail
CHEMBL5569436
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COC(=O)[C@@H](CO)NC(=O)c1cc(-c2cnc3[nH]c(-c4ccc(F)cc4)cc3c2)cs1
Basic Information
| ChEMBL ID | CHEMBL5569436 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JZOLFOPEGZITRE-GOSISDBHSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
439.5
MW (Da)
3.36
ALogP
6
HBA
3
HBD
104.3
PSA (Ų)
0.40
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase ULK1 CHEMBL6006 | IC50 | 6.9 | 6.8 | 125.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase ULK1 | IC50 | = | 125.89 | nM | 6.9 | Inhibition of ULK1 kinase domain (1 to 283 residues) (unknown origin) expressed ... | 38232465 |
| Serine/threonine-protein kinase ULK1 | IC50 | = | 199.53 | nM | 6.7 | Binding affinity to GST tagged ULK1 kinase domain (1 to 283 residues) (unknown o... | 38232465 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38232465 | 10.1016/j.ejmech.2023.116101 | Serine/threonine-protein kinase ULK1 | 3 |
| 38232465 | 10.1016/j.ejmech.2023.116101 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine