Compound Detail
CHEMBL562111
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Basic Information
| ChEMBL ID | CHEMBL562111 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SOODERUJPIUHDK-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
453.5
MW (Da)
0.41
ALogP
9
HBA
4
HBD
149.3
PSA (Ų)
0.20
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas.
IC50 1 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prokineticin receptor 1 CHEMBL5649 | IC50 | 7.68 | 7.68 | 21.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prokineticin receptor 1 | IC50 | = | 21.0 | nM | 7.68 | Antagonist activity at human PKR1 expressed in HEK293 cells assessed as inhibiti... | 19375913 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24852280 | 10.1016/j.ejmech.2014.05.030 | Mus musculus | 2 |
| 19375913 | 10.1016/j.bmcl.2009.03.157 | Prokineticin receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine