Compound Detail
CHEMBL250213
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Basic Information
| ChEMBL ID | CHEMBL250213 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OLGSVSPNJXGSAD-UHFFFAOYSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
474.0
MW (Da)
6.13
ALogP
6
HBA
2
HBD
74.2
PSA (Ų)
0.34
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.82
Ki 2 meas. best 10.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase ABL1 CHEMBL1862 | Ki | 10.21 | 8.895 | 0.1 | 2 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 8.82 | 8.82 | 1.5 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 8.57 | 8.57 | 2.7 | 1 |
| Tyrosine-protein kinase Yes CHEMBL2073 | IC50 | 8.32 | 8.32 | 4.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase ABL1 | Ki | = | 0.062 | nM | 10.21 | Inhibition of Abl | 17827012 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 1.5 | nM | 8.82 | Inhibition of Src | 18311895 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 2.7 | nM | 8.57 | Inhibition of VEGFR2 | 18311895 |
| Tyrosine-protein kinase Yes | IC50 | = | 4.8 | nM | 8.32 | Inhibition of YES | 18311895 |
| Tyrosine-protein kinase ABL1 | Ki | = | 26.0 | nM | 7.58 | Inhibition of Abl-T315I mutant | 17827012 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17827012 | 10.1016/j.bmcl.2007.08.043 | Tyrosine-protein kinase ABL1 | 2 |
| 18311895 | 10.1021/jm7011276 | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 18311895 | 10.1021/jm7011276 | Vascular endothelial growth factor receptor 2 | 1 |
| 18311895 | 10.1021/jm7011276 | Tyrosine-protein kinase Yes | 1 |
Data from ChEMBL 36 via Core Engine