Compound Detail
CHEMBL5573979
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
CN1CCN(CCOc2ccc(-c3cc4cc(-c5csc(C(=O)NCC(F)(F)F)c5)cnc4[nH]3)cc2)CC1
Basic Information
| ChEMBL ID | CHEMBL5573979 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PPDSOZHOCMKIED-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
543.6
MW (Da)
4.88
ALogP
6
HBA
2
HBD
73.5
PSA (Ų)
0.33
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase ULK1 CHEMBL6006 | IC50 | 8.3 | 8.1 | 5.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase ULK1 | IC50 | = | 5.012 | nM | 8.3 | Inhibition of ULK1 kinase domain (1 to 283 residues) (unknown origin) expressed ... | 38232465 |
| 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 | = | 12.59 | nM | 7.9 | 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 | 3 |
| 38232465 | 10.1016/j.ejmech.2023.116101 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine