Compound Detail
CHEMBL3144844
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Cc1[nH]n(-c2cccc(C(F)(F)F)c2)c(=O)c1/N=N/c1c(O)cc(S(=O)(=O)O)c2ccccc12
Basic Information
| ChEMBL ID | CHEMBL3144844 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FFAVEPICBVBNIY-OCEACIFDSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
492.4
MW (Da)
5.01
ALogP
7
HBA
3
HBD
137.1
PSA (Ų)
0.27
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thrombopoietin receptor CHEMBL1864 | EC50 | 7.4 | 7.4 | 40.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 7.16 | 7.08 | 70.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thrombopoietin receptor | EC50 | = | 40.0 | nM | 7.4 | Effective concentration for thrombopoietin luciferase activity was determined in... | 11606138 |
| Unchecked | EC50 | = | 70.0 | nM | 7.16 | Effective concentration (EC50) required to inhibit UT7/TPO Cell Proliferation wa... | 11606138 |
| Unchecked | EC50 | = | 100.0 | nM | 7.0 | Effective concentration (EC50) required to inhibit CD34 cell differentiation | 11606138 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11606138 | 10.1021/jm010283l | Unchecked | 4 |
| 11606138 | 10.1021/jm010283l | Thrombopoietin receptor | 2 |
Data from ChEMBL 36 via Core Engine