Compound Detail
CHEMBL3687217
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Cc1cc(Nc2nc(N[C@H]3CC[C@H](O)CC3)c(Cl)nc2C(N)=O)ccc1N1CCC(N2CCN(C)CC2)CC1
Basic Information
| ChEMBL ID | CHEMBL3687217 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OZHDGGPIVQKPDI-XYWHTSSQSA-N |
5
Targets
7
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
557.1
MW (Da)
3.21
ALogP
9
HBA
4
HBD
122.9
PSA (Ų)
0.41
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 9.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 9.14 | 9.14 | 0.7 | 2 |
| Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041 | IC50 | 8.89 | 8.89 | 1.3 | 1 |
| Proto-oncogene tyrosine-protein kinase ROS CHEMBL5568 | IC50 | 8.8 | 8.8 | 1.6 | 1 |
| EML4-ALK CHEMBL3883330 | IC50 | 8.64 | 8.375 | 2.3 | 2 |
| ALK tyrosine kinase receptor CHEMBL4247 | IC50 | 8.64 | 8.64 | 2.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine