Compound Detail
CHEMBL6034792
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COc1ccccc1Nc1ncc(-c2ccc(OC)c(OC)c2)c(NC2CCN(C(=O)C(F)(F)F)CC2)n1
Basic Information
| ChEMBL ID | CHEMBL6034792 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MDPKWYPYSBXZHN-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
531.5
MW (Da)
4.88
ALogP
8
HBA
2
HBD
97.8
PSA (Ų)
0.42
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase receptor UFO CHEMBL4895 | IC50 | 9.68 | 9.68 | 0.2 | 1 |
| Tyrosine-protein kinase Mer CHEMBL5331 | IC50 | 9.09 | 9.09 | 0.8 | 1 |
| Tyrosine-protein kinase receptor TYRO3 CHEMBL5314 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase receptor UFO | IC50 | = | 0.21 | nM | 9.68 | Verification on Inhibitory Activities of TAM Receptor Inhibiting Compounds on Ty... | - |
| Tyrosine-protein kinase Mer | IC50 | = | 0.82 | nM | 9.09 | Verification on Inhibitory Activities of TAM Receptor Inhibiting Compounds on Ty... | - |
| Tyrosine-protein kinase receptor TYRO3 | IC50 | = | 2200.0 | nM | 5.66 | Verification on Inhibitory Activities of TAM Receptor Inhibiting Compounds on Ty... | - |
Data from ChEMBL 36 via Core Engine