Compound Detail
CHEMBL2158513
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Basic Information
| ChEMBL ID | CHEMBL2158513 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MOWRRSWYFUOCAR-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
481.6
MW (Da)
3.68
ALogP
8
HBA
2
HBD
121.6
PSA (Ų)
0.41
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ALK tyrosine kinase receptor CHEMBL4247 | IC50 | 7.72 | 7.72 | 19.0 | 1 |
| NPM/ALK (Nucleophosmin/ALK tyrosine kinase receptor) CHEMBL2111387 | IC50 | 6.6 | 6.6 | 250.0 | 1 |
| Insulin receptor CHEMBL1981 | IC50 | 6.13 | 6.13 | 747.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ALK tyrosine kinase receptor | IC50 | = | 19.0 | nM | 7.72 | Inhibition of GST-tagged human ALK cytoplasmic domain (1058-1620) expressed in S... | 22141319 |
| NPM/ALK (Nucleophosmin/ALK tyrosine kinase receptor) | IC50 | = | 250.0 | nM | 6.6 | Inhibition of human NPM-ALK phosphorylation using 4-MeUP substrate by cell based... | 22141319 |
| Insulin receptor | IC50 | = | 747.0 | nM | 6.13 | Inhibition of IR | 22141319 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22141319 | 10.1021/jm2010767 | Insulin receptor | 1 |
| 22141319 | 10.1021/jm2010767 | NPM/ALK (Nucleophosmin/ALK tyrosine kinase receptor) | 1 |
| 22141319 | 10.1021/jm2010767 | ALK tyrosine kinase receptor | 1 |
Data from ChEMBL 36 via Core Engine