Compound Detail
CHEMBL497372
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CCCCc1ccc(-c2ccc3c4c([nH]c3c2)-c2ccc(C(=O)O)cc2S(=O)(=O)C4)cc1
Basic Information
| ChEMBL ID | CHEMBL497372 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JFRGHJKPPPGAGT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
445.5
MW (Da)
5.83
ALogP
3
HBA
2
HBD
87.2
PSA (Ų)
0.40
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thrombopoietin receptor CHEMBL1864 | EC50 | 6.35 | 6.35 | 449.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thrombopoietin receptor | EC50 | = | 449.0 | nM | 6.35 | 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