Compound Detail
CHEMBL2018017
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Nc1ncc(-c2cccc(OC(F)(F)F)c2)nc1C(=O)N[C@H]1C2CC3CC1C[C@@](O)(C3)C2
Basic Information
| ChEMBL ID | CHEMBL2018017 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KACWONWCFCFZRJ-MUDAVHDRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
448.4
MW (Da)
3.29
ALogP
6
HBA
3
HBD
110.4
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase receptor TYRO3 CHEMBL5314 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase receptor TYRO3 | IC50 | = | 400.0 | nM | 6.4 | Inhibition of human recombinant Sky using poly-GT as substrate and [33P]ATP afte... | 22425453 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22425453 | 10.1016/j.bmcl.2012.02.087 | Tyrosine-protein kinase receptor TYRO3 | 1 |
Data from ChEMBL 36 via Core Engine