Compound Detail
CHEMBL506033
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Basic Information
| ChEMBL ID | CHEMBL506033 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HQVKWOAGEPGZAS-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
358.4
MW (Da)
3.35
ALogP
6
HBA
1
HBD
83.0
PSA (Ų)
0.61
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mast/stem cell growth factor receptor Kit CHEMBL1936 | IC50 | 7.77 | 7.76 | 17.0 | 2 |
| Tyrosine-protein kinase Lck CHEMBL258 | IC50 | 6.82 | 6.82 | 150.0 | 1 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 6.82 | 6.82 | 150.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.19 | 5.19 | 6500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mast/stem cell growth factor receptor Kit | IC50 | = | 17.0 | nM | 7.77 | Inhibition of c-Kit by TR-FRET assay | 18447379 |
| Mast/stem cell growth factor receptor Kit | IC50 | = | 18.0 | nM | 7.75 | Inhibition of SCF-induced phosphorylation of c-Kit in MO7e cells by TR-FRET assa... | 18447379 |
| Tyrosine-protein kinase Lck | IC50 | = | 150.0 | nM | 6.82 | Inhibition of Lck by TR-FRET assay | 18447379 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 150.0 | nM | 6.82 | Inhibition of Src by TR-FRET assay | 18447379 |
| Unchecked | IC50 | = | 6500.0 | nM | 5.19 | Inhibition of p38 by TR-FRET assay | 18447379 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18447379 | 10.1021/jm800188g | Mast/stem cell growth factor receptor Kit | 2 |
| 18447379 | 10.1021/jm800188g | Vascular endothelial growth factor receptor 2 | 1 |
| 18447379 | 10.1021/jm800188g | Unchecked | 1 |
| 18447379 | 10.1021/jm800188g | Tyrosine-protein kinase Lck | 1 |
| 18447379 | 10.1021/jm800188g | Proto-oncogene tyrosine-protein kinase Src | 1 |
Data from ChEMBL 36 via Core Engine