Compound Detail
CHEMBL4476742
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CNC(=O)[C@H]1CC[C@@H](n2/c(=N/C(=O)c3ccccc3)[nH]c3ccc(CN4CCCCC4)cc32)CC1
Basic Information
| ChEMBL ID | CHEMBL4476742 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BHCNZTRPBJZHOJ-ZRZAMGCNSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
473.6
MW (Da)
4.17
ALogP
4
HBA
2
HBD
82.5
PSA (Ų)
0.58
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ALK tyrosine kinase receptor CHEMBL4247 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ALK tyrosine kinase receptor | IC50 | = | 2.0 | nM | 8.7 | Inhibition of ALK (unknown origin) | 31419130 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31419130 | 10.1021/acs.jmedchem.9b00446 | ALK tyrosine kinase receptor | 1 |
Data from ChEMBL 36 via Core Engine