Compound Detail
CHEMBL5774701
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COc1ccc(-c2cnc(Nc3cccc(Cl)c3)nc2NC2CCN(C(=O)C(F)(F)F)CC2)cc1OC
Basic Information
| ChEMBL ID | CHEMBL5774701 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VPEBETSCTWIJQZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
536.0
MW (Da)
5.52
ALogP
7
HBA
2
HBD
88.6
PSA (Ų)
0.41
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase Mer CHEMBL5331 | IC50 | 9.92 | 9.92 | 0.1 | 1 |
| Tyrosine-protein kinase receptor TYRO3 CHEMBL5314 | IC50 | 6.26 | 6.26 | 550.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase Mer | IC50 | = | 0.12 | nM | 9.92 | Verification on Inhibitory Activities of TAM Receptor Inhibiting Compounds on Ty... | - |
| Tyrosine-protein kinase receptor TYRO3 | IC50 | = | 550.0 | nM | 6.26 | Verification on Inhibitory Activities of TAM Receptor Inhibiting Compounds on Ty... | - |
Data from ChEMBL 36 via Core Engine