Compound Detail
CHEMBL3687205
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CC(C)c1nc(C(N)=O)c(Nc2ccc(N3CCC(N4CCN(C)CC4)CC3)c(C(F)(F)F)c2)nc1N[C@H]1CC[C@H](O)CC1
Basic Information
| ChEMBL ID | CHEMBL3687205 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VZEVMDYENBBHCI-JKIUYZKVSA-N |
5
Targets
7
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
618.8
MW (Da)
4.39
ALogP
9
HBA
4
HBD
122.9
PSA (Ų)
0.34
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 9.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| EML4-ALK CHEMBL3883330 | IC50 | 9.77 | 9.08 | 0.2 | 2 |
| ALK tyrosine kinase receptor CHEMBL4247 | IC50 | 9.77 | 9.77 | 0.2 | 1 |
| Proto-oncogene tyrosine-protein kinase ROS CHEMBL5568 | IC50 | 9.29 | 9.29 | 0.5 | 1 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 9.18 | 9.18 | 0.7 | 2 |
| Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041 | IC50 | 8.64 | 8.64 | 2.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine