Compound Detail
CHEMBL1254209
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Basic Information
| ChEMBL ID | CHEMBL1254209 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CQXAPCMYRSTDGK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
389.3
MW (Da)
2.45
ALogP
6
HBA
1
HBD
70.2
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ribosomal protein S6 kinase beta-1 CHEMBL4501 | IC50 | 8.04 | 8.04 | 9.1 | 1 |
| RAC-alpha serine/threonine-protein kinase CHEMBL4282 | IC50 | 4.66 | 4.66 | 22000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ribosomal protein S6 kinase beta-1 | IC50 | = | 9.1 | nM | 8.04 | Inhibition of S6K1 | 19465931 |
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 22000.0 | nM | 4.66 | Inhibition of AKT1 | 19465931 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19465931 | 10.1038/nchembio.183 | Tyrosine-protein kinase ABL1 | 5 |
| 19465931 | 10.1038/nchembio.183 | RAC-alpha serine/threonine-protein kinase | 4 |
| 19465931 | 10.1038/nchembio.183 | Epidermal growth factor receptor | 3 |
| 19465931 | 10.1038/nchembio.183 | Platelet-derived growth factor receptor alpha | 3 |
| 19465931 | 10.1038/nchembio.183 | Tyrosine-protein kinase JAK2 | 3 |
| 19465931 | 10.1038/nchembio.183 | Proto-oncogene tyrosine-protein kinase receptor Ret | 3 |
| 19465931 | 10.1038/nchembio.183 | Ribosomal protein S6 kinase beta-1 | 2 |
| 19465931 | 10.1038/nchembio.183 | Fibroblast growth factor receptor 3 | 2 |
| 19465931 | 10.1038/nchembio.183 | Protein kinase C beta type | 2 |
| 19465931 | 10.1038/nchembio.183 | Receptor-type tyrosine-protein kinase FLT3 | 2 |
| 19465931 | 10.1038/nchembio.183 | Serine/threonine-protein kinase B-raf | 2 |
| 19465931 | 10.1038/nchembio.183 | Mast/stem cell growth factor receptor Kit | 2 |
| 19465931 | 10.1038/nchembio.183 | Aurora kinase A | 2 |
| 19465931 | 10.1038/nchembio.183 | Hepatocyte growth factor receptor | 2 |
| 19465931 | 10.1038/nchembio.183 | Proto-oncogene tyrosine-protein kinase Src | 2 |
| 19465931 | 10.1038/nchembio.183 | Tyrosine-protein kinase Lyn | 2 |
| 19465931 | 10.1038/nchembio.183 | Aurora kinase B | 1 |
| 19465931 | 10.1038/nchembio.183 | PAS domain-containing serine/threonine-protein kinase | 1 |
| 19465931 | 10.1038/nchembio.183 | AMP-activated protein kinase (AMPK) alpha-1/beta-1/gamma-1 | 1 |
| 19465931 | 10.1038/nchembio.183 | Beta-adrenergic receptor kinase 1 | 1 |
Data from ChEMBL 36 via Core Engine