Compound Detail
CHEMBL1170611
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O=C(Nc1nc(-c2ccc(F)c(C(F)(F)F)c2)c(F)s1)c1cnc(N2CCC(C(=O)O)CC2)c(Cl)c1
Basic Information
| ChEMBL ID | CHEMBL1170611 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WPHUOGQIPMUSNW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
3
PK Parameters
4
Publications
0
Known Names
Molecular Properties
546.9
MW (Da)
5.71
ALogP
6
HBA
2
HBD
95.4
PSA (Ų)
0.40
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thrombopoietin receptor CHEMBL1864 | EC50 | 7.05 | 7.05 | 89.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 2.79 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 73.0 | % | Rattus norvegicus |
| T1/2 | 1.67 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thrombopoietin receptor | EC50 | = | 89.0 | nM | 7.05 | Agonist activity at human TPO receptor expressed in rat BaF3 cells | 20558059 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22533875 | 10.1021/jm300343m | Rattus norvegicus | 4 |
| 20558059 | 10.1016/j.bmcl.2010.05.087 | Mus musculus | 2 |
| 20558059 | 10.1016/j.bmcl.2010.05.087 | Rattus norvegicus | 2 |
| 20558059 | 10.1016/j.bmcl.2010.05.087 | Thrombopoietin receptor | 1 |
Data from ChEMBL 36 via Core Engine