Compound Detail
CHEMBL440231
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CN(CCO)c1cc(Nc2ccc(C(=O)Nc3nc(-c4cccc(C(F)(F)F)c4F)cs3)cc2)ncn1
Basic Information
| ChEMBL ID | CHEMBL440231 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YKWUFQRWIXUJTF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
532.5
MW (Da)
5.18
ALogP
8
HBA
3
HBD
103.3
PSA (Ų)
0.27
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thrombopoietin receptor CHEMBL1864 | EC50 | 7.66 | 7.66 | 22.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thrombopoietin receptor | EC50 | = | 22.0 | nM | 7.66 | Agonist activity at human TPOr expressed in BaF3 cells by reporter assay | 17707640 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17707640 | 10.1016/j.bmcl.2007.07.038 | Thrombopoietin receptor | 1 |
Data from ChEMBL 36 via Core Engine