Compound Detail
CHEMBL6052776
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Basic Information
| ChEMBL ID | CHEMBL6052776 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RTQRIPALPGYRNN-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
494.0
MW (Da)
4.45
ALogP
8
HBA
3
HBD
119.2
PSA (Ų)
0.40
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ALK tyrosine kinase receptor CHEMBL4247 | IC50 | 7.52 | 7.24 | 30.0 | 2 |
| Insulin receptor CHEMBL1981 | IC50 | 7.16 | 7.16 | 70.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ALK tyrosine kinase receptor | IC50 | = | 30.0 | nM | 7.52 | Inhibition of ALK WT Anaplastic Lymphoma Kinase Activity: The following experime... | - |
| Insulin receptor | IC50 | = | 70.0 | nM | 7.16 | Inhibition of ALK IR Anaplastic Lymphoma Kinase Activity: To measure the activit... | - |
| ALK tyrosine kinase receptor | IC50 | = | 110.0 | nM | 6.96 | Inhibition of ALK L1196M Anaplastic Lymphoma Kinase Activity: To measure the act... | - |
Data from ChEMBL 36 via Core Engine