Compound Detail
CHEMBL290664
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL290664 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZPKGDYKWVKCDJQ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
467.0
MW (Da)
5.24
ALogP
7
HBA
1
HBD
79.6
PSA (Ų)
0.51
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase ABL CHEMBL2111414 | IC50 | 8.46 | 8.46 | 3.5 | 1 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
| Src-transformed CHEMBL614302 | IC50 | 6.64 | 6.64 | 230.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase ABL | IC50 | = | 3.5 | nM | 8.46 | Inhibition of Abl kinase | 15027848 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 12.0 | nM | 7.92 | Inhibition of recombinant human Src kinase | 15027848 |
| Src-transformed | IC50 | = | 230.0 | nM | 6.64 | Inhibition of Src-transformed cell proliferation | 15027848 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15027848 | 10.1021/jm0499458 | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 15027848 | 10.1021/jm0499458 | Src-transformed | 1 |
| 15027848 | 10.1021/jm0499458 | Tyrosine-protein kinase ABL | 1 |
Data from ChEMBL 36 via Core Engine