Compound Detail
CHEMBL3608523
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Basic Information
| ChEMBL ID | CHEMBL3608523 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CENVUXSKJJMKIU-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
502.0
MW (Da)
4.84
ALogP
8
HBA
3
HBD
105.2
PSA (Ų)
0.42
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ALK tyrosine kinase receptor CHEMBL4247 | IC50 | 8.8 | 8.635 | 1.6 | 2 |
| Insulin receptor CHEMBL1981 | IC50 | 8.29 | 8.29 | 5.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ALK tyrosine kinase receptor | IC50 | = | 1.6 | nM | 8.8 | Inhibition of wild type ALK (unknown origin) by homogeneous time resolved fluore... | 26235945 |
| ALK tyrosine kinase receptor | IC50 | = | 3.4 | nM | 8.47 | Inhibition of ALK L1196M mutant (unknown origin) by homogeneous time resolved fl... | 26235945 |
| Insulin receptor | IC50 | = | 5.1 | nM | 8.29 | Inhibition of insulin receptor (unknown origin) by homogeneous time resolved flu... | 26235945 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26235945 | 10.1016/j.bmcl.2015.07.004 | ALK tyrosine kinase receptor | 3 |
| 26235945 | 10.1016/j.bmcl.2015.07.004 | Insulin receptor | 1 |
| 26235945 | 10.1016/j.bmcl.2015.07.004 | NON-PROTEIN TARGET | 1 |
| 26235945 | 10.1016/j.bmcl.2015.07.004 | BaF3 | 1 |
| 26235945 | 10.1016/j.bmcl.2015.07.004 | ADMET | 1 |
| 26235945 | 10.1016/j.bmcl.2015.07.004 | Liver microsome | 1 |
Data from ChEMBL 36 via Core Engine