Compound Detail
CHEMBL4292020
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
Basic Information
| ChEMBL ID | CHEMBL4292020 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KJQYFARJBLRFQX-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
420.5
MW (Da)
4.63
ALogP
4
HBA
2
HBD
55.4
PSA (Ų)
0.51
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ribosomal protein S6 kinase alpha-3 CHEMBL2345 | IC50 | 9.52 | 8.395 | 0.3 | 2 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 6.92 | 6.92 | 120.0 | 1 |
| Ribosomal protein S6 kinase beta-1 CHEMBL4501 | IC50 | 6.92 | 6.92 | 120.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ribosomal protein S6 kinase alpha-3 | IC50 | = | 0.3 | nM | 9.52 | Inhibition of RSK2 (unknown origin) | 30170943 |
| Ribosomal protein S6 kinase alpha-3 | IC50 | = | 54.0 | nM | 7.27 | Inhibition of RSK2 (unknown origin) assessed as reduction in YB1 transmembrane p... | 30170943 |
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 120.0 | nM | 6.92 | Inhibition of FLT3 (unknown origin) | 30170943 |
| Ribosomal protein S6 kinase beta-1 | IC50 | = | 120.0 | nM | 6.92 | Inhibition of RPS6KB1 (unknown origin) | 30170943 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30170943 | 10.1016/j.bmcl.2018.08.020 | Ribosomal protein S6 kinase alpha-3 | 2 |
| 30170943 | 10.1016/j.bmcl.2018.08.020 | Receptor-type tyrosine-protein kinase FLT3 | 1 |
| 30170943 | 10.1016/j.bmcl.2018.08.020 | Ribosomal protein S6 kinase beta-1 | 1 |
| 30170943 | 10.1016/j.bmcl.2018.08.020 | Proto-oncogene tyrosine-protein kinase receptor Ret | 1 |
| 30170943 | 10.1016/j.bmcl.2018.08.020 | Vascular endothelial growth factor receptor 2 | 1 |
| 30170943 | 10.1016/j.bmcl.2018.08.020 | Fibroblast growth factor receptor 2 | 1 |
| 30170943 | 10.1016/j.bmcl.2018.08.020 | Fibroblast growth factor receptor 1 | 1 |
| 30170943 | 10.1016/j.bmcl.2018.08.020 | Tyrosine-protein kinase JAK2 | 1 |
| 30170943 | 10.1016/j.bmcl.2018.08.020 | Tyrosine-protein kinase JAK1 | 1 |
| 30170943 | 10.1016/j.bmcl.2018.08.020 | Tyrosine-protein kinase receptor UFO | 1 |
| 30170943 | 10.1016/j.bmcl.2018.08.020 | No relevant target | 1 |
| 30170943 | 10.1016/j.bmcl.2018.08.020 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine