Compound Detail
CHEMBL1779183
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Basic Information
| ChEMBL ID | CHEMBL1779183 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AOOGMCLEQGVDGG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
407.5
MW (Da)
5.03
ALogP
5
HBA
0
HBD
51.9
PSA (Ų)
0.55
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ALK tyrosine kinase receptor CHEMBL4247 | IC50 | 5.68 | 5.68 | 2080.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ALK tyrosine kinase receptor | IC50 | = | 2080.0 | nM | 5.68 | Inhibition of ALK assessed as biotin-EGPWLEEEEEAYGWMDF peptide phosphorylation b... | 21561771 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21561771 | 10.1016/j.bmcl.2011.04.020 | ALK tyrosine kinase receptor | 1 |
Data from ChEMBL 36 via Core Engine