Compound Detail
CHEMBL5822010
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O=C(N[C@H]1CC[C@@H](Nc2nc(Nc3cc(Cl)cc(Cl)c3)ncc2-c2cnn(C3CCN(C(=O)C(F)(F)F)CC3)c2)CC1)C(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL5822010 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XWGQRTQXVAWLEI-KDURUIRLSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
693.5
MW (Da)
6.52
ALogP
8
HBA
3
HBD
117.1
PSA (Ų)
0.24
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase receptor TYRO3 CHEMBL5314 | IC50 | 8.06 | 8.06 | 8.7 | 1 |
| Tyrosine-protein kinase Mer CHEMBL5331 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
| Tyrosine-protein kinase receptor UFO CHEMBL4895 | IC50 | 6.05 | 6.05 | 890.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase receptor TYRO3 | IC50 | = | 8.7 | nM | 8.06 | Verification on Inhibitory Activities of TAM Receptor Inhibiting Compounds on Ty... | - |
| Tyrosine-protein kinase Mer | IC50 | = | 300.0 | nM | 6.52 | Verification on Inhibitory Activities of TAM Receptor Inhibiting Compounds on Ty... | - |
| Tyrosine-protein kinase receptor UFO | IC50 | = | 890.0 | nM | 6.05 | Verification on Inhibitory Activities of TAM Receptor Inhibiting Compounds on Ty... | - |
Data from ChEMBL 36 via Core Engine