Compound Detail
CHEMBL1765772
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Basic Information
| ChEMBL ID | CHEMBL1765772 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QWIXHSWNLCNTEE-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
334.4
MW (Da)
2.76
ALogP
4
HBA
2
HBD
78.1
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | Ki | 8.1 | 8.1 | 8.0 | 1 |
| Mast/stem cell growth factor receptor Kit CHEMBL1936 | Ki | 7.34 | 7.34 | 46.0 | 1 |
| Tyrosine-protein kinase ITK/TSK CHEMBL2959 | Ki | 6.68 | 6.68 | 210.0 | 1 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | Ki | 5.55 | 5.55 | 2800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 | Ki | = | 8.0 | nM | 8.1 | Inhibition of Flt3 after 20 mins by radiometric phosphate incorporation assay | 21391610 |
| Mast/stem cell growth factor receptor Kit | Ki | = | 46.0 | nM | 7.34 | Inhibition of c-Kit after 45 mins by radiometric phosphate incorporation assay | 21391610 |
| Tyrosine-protein kinase ITK/TSK | Ki | = | 210.0 | nM | 6.68 | Inhibition of Itk after 40 mins by radiometric phosphate incorporation assay | 21391610 |
| Proto-oncogene tyrosine-protein kinase Src | Ki | = | 2800.0 | nM | 5.55 | Inhibition of Src after 10 mins by radiometric phosphate incorporation assay | 21391610 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21391610 | 10.1021/jm101499u | Tyrosine-protein kinase ITK/TSK | 1 |
| 21391610 | 10.1021/jm101499u | Mast/stem cell growth factor receptor Kit | 1 |
| 21391610 | 10.1021/jm101499u | Receptor-type tyrosine-protein kinase FLT3 | 1 |
| 21391610 | 10.1021/jm101499u | Proto-oncogene tyrosine-protein kinase Src | 1 |
Data from ChEMBL 36 via Core Engine