Compound Detail
CHEMBL5172847
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
COc1cc(N2CCC3(CCN(C)CC3)CC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1
Basic Information
| ChEMBL ID | CHEMBL5172847 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XQEYPEQDMUAORO-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
583.1
MW (Da)
6.49
ALogP
8
HBA
2
HBD
82.6
PSA (Ų)
0.31
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ALK tyrosine kinase receptor CHEMBL4247 | IC50 | 8.77 | 8.5667 | 1.7 | 3 |
| KARPAS-299 CHEMBL2366156 | IC50 | 7.21 | 7.21 | 62.0 | 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 C1156Y mutant (unknown origin) using biotinylated substrate in... | 35421578 |
| ALK tyrosine kinase receptor | IC50 | = | 3.4 | nM | 8.47 | Inhibition of wild type ALK (unknown origin) using biotinylated substrate incuba... | 35421578 |
| ALK tyrosine kinase receptor | IC50 | = | 3.5 | nM | 8.46 | Inhibition of ALK L1196M mutant (unknown origin) using biotinylated substrate in... | 35421578 |
| KARPAS-299 | IC50 | = | 62.0 | nM | 7.21 | Antiproliferative activity against human KARPAS-299 cells harbouring wild type A... | 35421578 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35421578 | 10.1016/j.bmcl.2022.128730 | ALK tyrosine kinase receptor | 3 |
| 35421578 | 10.1016/j.bmcl.2022.128730 | KARPAS-299 | 1 |
Data from ChEMBL 36 via Core Engine