Compound Detail
CHEMBL5846250
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N[C@H]1CC[C@@H](Nc2nc(Nc3cc(Cl)cc(Cl)c3)ncc2-c2cnn(CCO)c2)CC1
Basic Information
| ChEMBL ID | CHEMBL5846250 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BTBWDZHSUOGEGB-CALCHBBNSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
462.4
MW (Da)
4.06
ALogP
8
HBA
4
HBD
113.9
PSA (Ų)
0.42
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase receptor TYRO3 CHEMBL5314 | IC50 | 9.72 | 9.72 | 0.2 | 1 |
| Tyrosine-protein kinase Mer CHEMBL5331 | IC50 | 7.6 | 7.6 | 25.0 | 1 |
| Tyrosine-protein kinase receptor UFO CHEMBL4895 | IC50 | 6.16 | 6.16 | 700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase receptor TYRO3 | IC50 | = | 0.19 | nM | 9.72 | Verification on Inhibitory Activities of TAM Receptor Inhibiting Compounds on Ty... | - |
| Tyrosine-protein kinase Mer | IC50 | = | 25.0 | nM | 7.6 | Verification on Inhibitory Activities of TAM Receptor Inhibiting Compounds on Ty... | - |
| Tyrosine-protein kinase receptor UFO | IC50 | = | 700.0 | nM | 6.16 | Verification on Inhibitory Activities of TAM Receptor Inhibiting Compounds on Ty... | - |
Data from ChEMBL 36 via Core Engine