Compound Detail
CHEMBL523975
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
O=C(Nc1nc(-c2cccc(C(F)(F)F)c2F)cs1)c1cnc(N2CCC(C(=O)O)CC2)c(Cl)c1
Basic Information
| ChEMBL ID | CHEMBL523975 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HRCPSKADZFSMPG-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
6
PK Parameters
6
Publications
0
Known Names
Molecular Properties
528.9
MW (Da)
5.57
ALogP
6
HBA
2
HBD
95.4
PSA (Ų)
0.42
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thrombopoietin receptor CHEMBL1864 | EC50 | 7.48 | 7.48 | 33.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 84000.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 832000.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 1486000.0 | ng.hr.mL-1 | Rattus norvegicus |
| Cmax | 37812.9 | nM | Rattus norvegicus |
| Cmax | 90750.96 | nM | Rattus norvegicus |
| Cmax | 158814.19 | nM | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thrombopoietin receptor | EC50 | = | 33.0 | nM | 7.48 | Agonist activity at human thrombopoietin receptor transfected in mouse BAF3 cell... | 19186055 |
| Thrombopoietin receptor | EC50 | = | 33.0 | nM | 7.48 | Agonist activity at human TPO receptor expressed in rat BaF3 cells | 20558059 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20558059 | 10.1016/j.bmcl.2010.05.087 | Rattus norvegicus | 14 |
| 19186055 | 10.1016/j.bmcl.2009.01.032 | Plasma | 4 |
| 19186055 | 10.1016/j.bmcl.2009.01.032 | No relevant target | 2 |
| 20558059 | 10.1016/j.bmcl.2010.05.087 | Mus musculus | 2 |
| 19186055 | 10.1016/j.bmcl.2009.01.032 | Thrombopoietin receptor | 1 |
| 20558059 | 10.1016/j.bmcl.2010.05.087 | Thrombopoietin receptor | 1 |
Data from ChEMBL 36 via Core Engine