Compound Detail
CHEMBL490096
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O=C(Nc1nc(-c2cccc(C(F)(F)F)c2F)cs1)c1cnc(N2CCNC(C(=O)O)C2)c(Cl)c1
Basic Information
| ChEMBL ID | CHEMBL490096 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MXODOOPIHHLFNH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
529.9
MW (Da)
4.13
ALogP
7
HBA
3
HBD
107.5
PSA (Ų)
0.43
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thrombopoietin receptor CHEMBL1864 | EC50 | 6.89 | 6.89 | 129.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thrombopoietin receptor | EC50 | = | 129.0 | nM | 6.89 | Agonist activity at human thrombopoietin receptor transfected in mouse BAF3 cell... | 19186055 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19186055 | 10.1016/j.bmcl.2009.01.032 | No relevant target | 2 |
| 19186055 | 10.1016/j.bmcl.2009.01.032 | Thrombopoietin receptor | 1 |
Data from ChEMBL 36 via Core Engine