Compound Detail
CHEMBL3687221
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CC(C)c1nc(C(N)=O)c(Nc2ccc(N3CCC(N4CCN(C)CC4)CC3)cc2)nc1NC1CCOCC1
Basic Information
| ChEMBL ID | CHEMBL3687221 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JGCBLHLFAFWUNH-UHFFFAOYSA-N |
5
Targets
7
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
536.7
MW (Da)
3.25
ALogP
9
HBA
3
HBD
111.9
PSA (Ų)
0.47
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 9.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase ROS CHEMBL5568 | IC50 | 9.29 | 9.29 | 0.5 | 1 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 9.25 | 9.25 | 0.6 | 2 |
| Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041 | IC50 | 8.82 | 8.82 | 1.5 | 1 |
| EML4-ALK CHEMBL3883330 | IC50 | 8.68 | 8.265 | 2.1 | 2 |
| ALK tyrosine kinase receptor CHEMBL4247 | IC50 | 8.68 | 8.68 | 2.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine