Compound Detail
CHEMBL1779097
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Basic Information
| ChEMBL ID | CHEMBL1779097 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MVRHUUSYWROLBH-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
421.5
MW (Da)
5.42
ALogP
5
HBA
0
HBD
51.9
PSA (Ų)
0.49
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.87
Ki 1 meas. best 6.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ALK tyrosine kinase receptor CHEMBL4247 | Ki | 6.77 | 6.77 | 170.0 | 1 |
| ALK tyrosine kinase receptor CHEMBL4247 | IC50 | 5.87 | 5.87 | 1336.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ALK tyrosine kinase receptor | Ki | = | 170.0 | nM | 6.77 | Competitive inhibition of ALK phosphorylation by Lineweaver-Burk plot analysis | 21561771 |
| ALK tyrosine kinase receptor | IC50 | = | 1340.0 | nM | 5.87 | Inhibition of ALK assessed as biotin-EGPWLEEEEEAYGWMDF peptide phosphorylation b... | 21561771 |
| ALK tyrosine kinase receptor | IC50 | = | 1336.0 | nM | 5.87 | Inhibition of ALK (unknown origin) | 31419130 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21561771 | 10.1016/j.bmcl.2011.04.020 | ALK tyrosine kinase receptor | 2 |
| 21561771 | 10.1016/j.bmcl.2011.04.020 | Hepatocyte growth factor receptor | 1 |
| 31419130 | 10.1021/acs.jmedchem.9b00446 | Hepatocyte growth factor receptor | 1 |
| 31419130 | 10.1021/acs.jmedchem.9b00446 | ALK tyrosine kinase receptor | 1 |
Data from ChEMBL 36 via Core Engine