Compound Detail
CHEMBL497149
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CCCCc1ccc(-c2ccc3c4c([nH]c3c2F)-c2cc(NC(C)=O)c(C(=O)O)cc2C4)cc1
Basic Information
| ChEMBL ID | CHEMBL497149 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WHGSUNIEZVUQEJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
456.5
MW (Da)
6.54
ALogP
2
HBA
3
HBD
82.2
PSA (Ų)
0.27
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thrombopoietin receptor CHEMBL1864 | EC50 | 6.42 | 6.42 | 376.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thrombopoietin receptor | EC50 | = | 376.0 | nM | 6.42 | Agonist activity at human thrombopoietin receptor expressed in mouse Ba/F3 cells... | 18783949 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18783949 | 10.1016/j.bmcl.2008.08.077 | Thrombopoietin receptor | 2 |
Data from ChEMBL 36 via Core Engine