Compound Detail
CHEMBL4081656
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Basic Information
| ChEMBL ID | CHEMBL4081656 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GUUUIDZRGJYTMH-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
490.0
MW (Da)
4.62
ALogP
8
HBA
3
HBD
119.2
PSA (Ų)
0.40
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ALK tyrosine kinase receptor CHEMBL4247 | IC50 | 8.77 | 8.67 | 1.7 | 4 |
| Insulin receptor CHEMBL1981 | IC50 | 8.74 | 8.74 | 1.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ALK tyrosine kinase receptor | IC50 | = | 1.7 | nM | 8.77 | Inhibition of ALK L1196M mutant (unknown origin) using peptide as substrate meas... | 27915169 |
| ALK tyrosine kinase receptor | IC50 | = | 1.7 | nM | 8.77 | Inhibition of ALK L1196M Anaplastic Lymphoma Kinase Activity: To measure the act... | - |
| Insulin receptor | IC50 | = | 1.8 | nM | 8.74 | Inhibition of ALK IR Anaplastic Lymphoma Kinase Activity: To measure the activit... | - |
| ALK tyrosine kinase receptor | IC50 | = | 2.7 | nM | 8.57 | Inhibition of wild-type ALK (unknown origin) using peptide as substrate measured... | 27915169 |
| ALK tyrosine kinase receptor | IC50 | = | 2.7 | nM | 8.57 | Inhibition of ALK WT Anaplastic Lymphoma Kinase Activity: The following experime... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27915169 | 10.1016/j.ejmech.2016.11.046 | ALK tyrosine kinase receptor | 5 |
Data from ChEMBL 36 via Core Engine