Compound Detail
CHEMBL457515
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
Basic Information
| ChEMBL ID | CHEMBL457515 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FIIIITZGLKCLHY-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
451.5
MW (Da)
0.97
ALogP
8
HBA
4
HBD
140.1
PSA (Ų)
0.20
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.66
EC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prokineticin receptor 1 CHEMBL5649 | Ki | 7.66 | 7.66 | 22.0 | 1 |
| Prokineticin receptor 2 CHEMBL5548 | Ki | 5.79 | 5.79 | 1610.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prokineticin receptor 1 | Ki | = | 22.0 | nM | 7.66 | Displacement of [I125]MIT from PKR1 expressed in CHO cell membrane | 19006379 |
| Prokineticin receptor 2 | Ki | = | 1610.0 | nM | 5.79 | Displacement of [I125]MIT from PKR2 expressed in CHO cell membrane | 19006379 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19006379 | 10.1021/jm800854e | Prokineticin receptor 1 | 3 |
| 19006379 | 10.1021/jm800854e | Prokineticin receptor 2 | 3 |
| 24852280 | 10.1016/j.ejmech.2014.05.030 | Mus musculus | 2 |
| 19006379 | 10.1021/jm800854e | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine