Compound Detail
CHEMBL1808097
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Basic Information
| ChEMBL ID | CHEMBL1808097 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MDESGINMMFGHJL-AATRIKPKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
358.4
MW (Da)
2.38
ALogP
7
HBA
1
HBD
107.6
PSA (Ų)
0.60
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ALK tyrosine kinase receptor CHEMBL4247 | IC50 | 5.12 | 5.12 | 7540.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ALK tyrosine kinase receptor | IC50 | = | 7540.0 | nM | 5.12 | Inhibition of 6xHis-tagged NPM-ALK using biotinylated-poly(GT) peptide as substr... | 21708465 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21708465 | 10.1016/j.bmcl.2011.05.103 | ALK tyrosine kinase receptor | 1 |
| 21708465 | 10.1016/j.bmcl.2011.05.103 | Insulin receptor | 1 |
| 21708465 | 10.1016/j.bmcl.2011.05.103 | Hepatocyte growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine