Compound Detail
CHEMBL5821741
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O=C(NC1CCC(Nc2nc(Nc3cc(F)cc(F)c3)ncc2-c2cnn(CCO)c2)CC1)C(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL5821741 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JTWJBADLHDCZDM-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
525.5
MW (Da)
3.76
ALogP
8
HBA
4
HBD
117.0
PSA (Ų)
0.33
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase Mer CHEMBL5331 | IC50 | 9.05 | 9.05 | 0.9 | 1 |
| Tyrosine-protein kinase receptor TYRO3 CHEMBL5314 | IC50 | 7.28 | 7.28 | 52.0 | 1 |
| Tyrosine-protein kinase receptor UFO CHEMBL4895 | IC50 | 6.72 | 6.72 | 190.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase Mer | IC50 | = | 0.9 | nM | 9.05 | Verification on Inhibitory Activities of TAM Receptor Inhibiting Compounds on Ty... | - |
| Tyrosine-protein kinase receptor TYRO3 | IC50 | = | 52.0 | nM | 7.28 | Verification on Inhibitory Activities of TAM Receptor Inhibiting Compounds on Ty... | - |
| Tyrosine-protein kinase receptor UFO | IC50 | = | 190.0 | nM | 6.72 | Verification on Inhibitory Activities of TAM Receptor Inhibiting Compounds on Ty... | - |
Data from ChEMBL 36 via Core Engine