Compound Detail
CHEMBL4748562
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CC(C)n1c2cc(N3CCC(N4CCOCC4)CC3)ccc2c(=O)c2c3ccc(C#N)cc3[nH]c21
Basic Information
| ChEMBL ID | CHEMBL4748562 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OORSPMSOZZAJHG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
469.6
MW (Da)
4.39
ALogP
6
HBA
1
HBD
77.3
PSA (Ų)
0.48
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ALK tyrosine kinase receptor CHEMBL4247 | IC50 | 7.54 | 7.54 | 28.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ALK tyrosine kinase receptor | IC50 | = | 28.6 | nM | 7.54 | Inhibition of N-terminal GST tagged wild-type human ALK cytoplasmic domain (1058... | 33185101 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33185101 | 10.1021/acs.jmedchem.0c01550 | ALK tyrosine kinase receptor | 1 |
Data from ChEMBL 36 via Core Engine