Compound Detail
CHEMBL5269042
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O=C(N[C@@H](C1CC1)C(F)(F)F)c1cc(C2C=C3N=C(c4ccc(F)cc4)C=CN3N2)cs1
Basic Information
| ChEMBL ID | CHEMBL5269042 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GVNUZZFMGGXPMN-OZBJMMHXSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
462.5
MW (Da)
4.68
ALogP
5
HBA
2
HBD
56.7
PSA (Ų)
0.63
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase ULK1 CHEMBL6006 | IC50 | 8.08 | 8.08 | 8.3 | 1 |
| Serine/threonine-protein kinase ULK2 CHEMBL5435 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase ULK1 | IC50 | = | 8.3 | nM | 8.08 | Inhibition of ULK1 (unknown origin) | 36283182 |
| Serine/threonine-protein kinase ULK2 | IC50 | = | 30.0 | nM | 7.52 | Inhibition of ULK2 (unknown origin) | 36283182 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36283182 | 10.1016/j.ejmech.2022.114846 | Serine/threonine-protein kinase ULK1 | 1 |
| 36283182 | 10.1016/j.ejmech.2022.114846 | Serine/threonine-protein kinase ULK2 | 1 |
Data from ChEMBL 36 via Core Engine