Compound Detail
CHEMBL5823550
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CCC[C@H](C)Nc1ncc2c(C3CCN(C(=O)C4CCCCN4)CC3)cn([C@H]3CC[C@H](O)CC3)c2n1
Basic Information
| ChEMBL ID | CHEMBL5823550 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SSXZMLFKSRFQIX-WTHYHGFTSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
496.7
MW (Da)
4.36
ALogP
7
HBA
3
HBD
95.3
PSA (Ų)
0.53
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.56
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase receptor TYRO3 CHEMBL5314 | IC50 | 6.56 | 6.34 | 275.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase receptor TYRO3 | IC50 | = | 275.0 | nM | 6.56 | Activity Assay: Activity Against Tyro3 Tyrosine Kinase. | - |
| Tyrosine-protein kinase receptor TYRO3 | IC50 | = | 750.0 | nM | 6.12 | Activity Assay: Activity Against Tyro3 Tyrosine Kinase. | - |
Data from ChEMBL 36 via Core Engine