Compound Detail
CHEMBL2347730
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Basic Information
| ChEMBL ID | CHEMBL2347730 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ONIXTHIEXURSCP-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
410.5
MW (Da)
3.98
ALogP
5
HBA
2
HBD
66.5
PSA (Ų)
0.65
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase ABL1 CHEMBL1862 | IC50 | 9.05 | 9.05 | 0.9 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.55 | 6.195 | 280.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase ABL1 | IC50 | = | 0.89 | nM | 9.05 | Inhibition of breakpoint cluster region-Abelson tyrosine kinase T315I mutant (un... | 23600806 |
| NON-PROTEIN TARGET | IC50 | = | 280.0 | nM | 6.55 | Cytotoxicity against mouse BA/F3 cells transfected with wild type Bcr-Abl after ... | 23600806 |
| NON-PROTEIN TARGET | IC50 | = | 1440.0 | nM | 5.84 | Cytotoxicity against mouse BA/F3 cells transfected with Bcr-Abl T315I mutant aft... | 23600806 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23600806 | 10.1021/jm301891t | NON-PROTEIN TARGET | 2 |
| 23600806 | 10.1021/jm301891t | Tyrosine-protein kinase ABL1 | 1 |
Data from ChEMBL 36 via Core Engine