Compound Detail
CHEMBL1169647
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O=C(Nc1nc(-c2ccc(F)c(C(F)(F)F)c2)ns1)c1cnc(N2CCC(C(=O)O)CC2)c(Cl)c1
Basic Information
| ChEMBL ID | CHEMBL1169647 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MRIDPPRWELMJNF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
3
PK Parameters
2
Publications
0
Known Names
Molecular Properties
529.9
MW (Da)
4.96
ALogP
7
HBA
2
HBD
108.3
PSA (Ų)
0.45
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thrombopoietin receptor CHEMBL1864 | EC50 | 6.24 | 6.24 | 574.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 1.49 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 73.5 | % | Rattus norvegicus |
| T1/2 | 1.09 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thrombopoietin receptor | EC50 | = | 574.0 | nM | 6.24 | 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 | Thrombopoietin receptor | 1 |
Data from ChEMBL 36 via Core Engine