Compound Detail
CHEMBL3734844
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CCc1cc2c(cc1-c1cnn(C3CCOCC3)c1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O
Basic Information
| ChEMBL ID | CHEMBL3734844 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZOUKGWPEJXISGG-UHFFFAOYSA-N |
4
Targets
11
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
464.6
MW (Da)
5.69
ALogP
5
HBA
1
HBD
83.7
PSA (Ų)
0.42
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 11 meas. best 7.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ALK tyrosine kinase receptor CHEMBL4247 | IC50 | 7.95 | 7.95 | 11.2 | 1 |
| EML4-ALK CHEMBL3883330 | IC50 | 7.7 | 6.93 | 20.0 | 8 |
| Unchecked CHEMBL612545 | IC50 | 6.21 | 6.21 | 620.0 | 1 |
| ADMET CHEMBL612558 | IC50 | 6.03 | 6.03 | 924.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26568289 | 10.1021/acs.jmedchem.5b01136 | EML4-ALK | 10 |
| 26568289 | 10.1021/acs.jmedchem.5b01136 | ADMET | 2 |
| 26476749 | 10.1016/j.ejmech.2015.10.005 | ALK tyrosine kinase receptor | 1 |
| 26568289 | 10.1021/acs.jmedchem.5b01136 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine