Compound Detail
CHEMBL4637017
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CC(C)C[C@H]1CNC(=N)N1C[C@H](Cc1ccc(O)cc1)NS(=O)(=O)c1ccccc1Cl
Basic Information
| ChEMBL ID | CHEMBL4637017 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DULNGDODVYGKLI-ROUUACIJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
465.0
MW (Da)
3.19
ALogP
4
HBA
4
HBD
105.5
PSA (Ų)
0.46
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase LMTK3 CHEMBL4523432 | IC50 | 6.68 | 6.68 | 210.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase LMTK3 | IC50 | = | 210.0 | nM | 6.68 | Inhibition of LMTK3 (unknown origin) | 32192797 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32192797 | 10.1016/j.bmcl.2020.127108 | Serine/threonine-protein kinase LMTK3 | 1 |
| 32192797 | 10.1016/j.bmcl.2020.127108 | Insulin receptor | 1 |
| 32192797 | 10.1016/j.bmcl.2020.127108 | Insulin-like growth factor 1 receptor | 1 |
| 32192797 | 10.1016/j.bmcl.2020.127108 | BDNF/NT-3 growth factors receptor | 1 |
| 32192797 | 10.1016/j.bmcl.2020.127108 | Muscle, skeletal receptor tyrosine-protein kinase | 1 |
Data from ChEMBL 36 via Core Engine