Compound Detail
CHEMBL497957
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Basic Information
| ChEMBL ID | CHEMBL497957 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UCMYLPJAVAGSBP-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
5
PK Parameters
6
Publications
0
Known Names
Molecular Properties
360.4
MW (Da)
3.79
ALogP
5
HBA
1
HBD
73.8
PSA (Ų)
0.59
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mast/stem cell growth factor receptor Kit CHEMBL1936 | IC50 | 7.92 | 7.66 | 12.0 | 2 |
| Tyrosine-protein kinase Lck CHEMBL258 | IC50 | 4.6 | 4.6 | 25000.0 | 1 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 4.6 | 4.6 | 25000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.4 | 4.4 | 40000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 1309.0 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 32.5 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 776.94 | nM | Rattus norvegicus |
| F | 100.0 | % | Rattus norvegicus |
| T1/2 | 2.9 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mast/stem cell growth factor receptor Kit | IC50 | = | 12.0 | nM | 7.92 | Inhibition of SCF-induced phosphorylation of c-Kit in MO7e cells by TR-FRET assa... | 18447379 |
| Mast/stem cell growth factor receptor Kit | IC50 | = | 40.0 | nM | 7.4 | Inhibition of c-Kit by TR-FRET assay | 18447379 |
| Tyrosine-protein kinase Lck | IC50 | = | 25000.0 | nM | 4.6 | Inhibition of Lck by TR-FRET assay | 18447379 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 25000.0 | nM | 4.6 | Inhibition of Src by TR-FRET assay | 18447379 |
| Unchecked | IC50 | = | 40000.0 | nM | 4.4 | Inhibition of p38 by TR-FRET assay | 18447379 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18447379 | 10.1021/jm800188g | Rattus norvegicus | 6 |
| 18447379 | 10.1021/jm800188g | Unchecked | 5 |
| 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 | Tyrosine-protein kinase Lck | 1 |
| 18447379 | 10.1021/jm800188g | Proto-oncogene tyrosine-protein kinase Src | 1 |
Data from ChEMBL 36 via Core Engine