Compound Detail
CHEMBL237127
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Basic Information
| ChEMBL ID | CHEMBL237127 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VKQPTVJDZIILPG-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
361.4
MW (Da)
4.93
ALogP
6
HBA
2
HBD
75.1
PSA (Ų)
0.50
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.6
Ki 2 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase Lck CHEMBL258 | Ki | 7.7 | 7.7 | 20.0 | 1 |
| Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041 | IC50 | 7.6 | 7.6 | 25.0 | 1 |
| Tyrosine-protein kinase Lck CHEMBL258 | IC50 | 7.23 | 7.23 | 59.0 | 1 |
| Mitogen-activated protein kinase 14 CHEMBL260 | Ki | 6.4 | 6.4 | 400.0 | 1 |
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase Lck | Ki | = | 20.0 | nM | 7.7 | Inhibition of Lck | 18006306 |
| Proto-oncogene tyrosine-protein kinase receptor Ret | IC50 | = | 25.0 | nM | 7.6 | Inhibition of RET kinase in Sf9 cells | 17884497 |
| Tyrosine-protein kinase Lck | IC50 | = | 59.0 | nM | 7.23 | Inhibition of Lck | 18006306 |
| Mitogen-activated protein kinase 14 | Ki | = | 400.0 | nM | 6.4 | Inhibition of purified human p38alpha | 18006306 |
| Mitogen-activated protein kinase 14 | IC50 | = | 2500.0 | nM | 5.6 | Inhibition of purified human p38alpha | 18006306 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18006306 | 10.1016/j.bmcl.2007.10.076 | Mitogen-activated protein kinase 10 | 2 |
| 18006306 | 10.1016/j.bmcl.2007.10.076 | Tyrosine-protein kinase Lck | 2 |
| 18006306 | 10.1016/j.bmcl.2007.10.076 | Mitogen-activated protein kinase 14 | 2 |
| 17884497 | 10.1016/j.bmcl.2007.07.104 | Unchecked | 1 |
| 17884497 | 10.1016/j.bmcl.2007.07.104 | Proto-oncogene tyrosine-protein kinase receptor Ret | 1 |
| 17884497 | 10.1016/j.bmcl.2007.07.104 | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 17884497 | 10.1016/j.bmcl.2007.07.104 | Tyrosine-protein kinase Lyn | 1 |
| 17884497 | 10.1016/j.bmcl.2007.07.104 | Vascular endothelial growth factor receptor 2 | 1 |
| 17884497 | 10.1016/j.bmcl.2007.07.104 | Angiopoietin-1 receptor | 1 |
Data from ChEMBL 36 via Core Engine