Compound Detail
CHEMBL248217
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O=C(Nc1nc(-c2cccc(C(F)(F)F)c2F)cs1)c1ccc(Nc2cc(N3CCC3)ncn2)cc1
Basic Information
| ChEMBL ID | CHEMBL248217 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BIXPZICKNFMWJX-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
514.5
MW (Da)
5.96
ALogP
7
HBA
2
HBD
83.0
PSA (Ų)
0.31
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thrombopoietin receptor CHEMBL1864 | EC50 | 7.64 | 7.64 | 23.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 6.89 | 6.89 | 130.0 | 1 |
| BaF3 CHEMBL614524 | EC50 | 6.15 | 6.15 | 710.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thrombopoietin receptor | EC50 | = | 23.0 | nM | 7.64 | Agonist activity at human TPOr expressed in BaF3 cells by reporter assay | 17707640 |
| NON-PROTEIN TARGET | EC50 | = | 130.0 | nM | 6.89 | Induction of proliferation of human CD34+ cells by CFUMEG colony assay | 17707640 |
| BaF3 | EC50 | = | 710.0 | nM | 6.15 | Induction of mouse BaF3 cell proliferation | 17707640 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17707640 | 10.1016/j.bmcl.2007.07.038 | Thrombopoietin receptor | 1 |
| 17707640 | 10.1016/j.bmcl.2007.07.038 | BaF3 | 1 |
| 17707640 | 10.1016/j.bmcl.2007.07.038 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine