Compound Detail
CHEMBL1257603
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CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C(/C)NNC(=S)N1CCc2cc(C(=O)O)ccc21
Basic Information
| ChEMBL ID | CHEMBL1257603 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YMJFWAZRZUTXJC-QNGOZBTKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
463.6
MW (Da)
3.44
ALogP
5
HBA
3
HBD
97.3
PSA (Ų)
0.36
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thrombopoietin receptor CHEMBL1864 | EC50 | 8.22 | 8.22 | 6.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thrombopoietin receptor | EC50 | = | 6.0 | nM | 8.22 | Inhibition of human TPOR expressed in human BaF3 cells | 20800483 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20800483 | 10.1016/j.bmcl.2010.08.028 | Thrombopoietin receptor | 1 |
Data from ChEMBL 36 via Core Engine