Compound Detail
CHEMBL3903512
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Basic Information
| ChEMBL ID | CHEMBL3903512 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UHAAKMVWUJVWNK-ZCXUNETKSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
404.9
MW (Da)
3.69
ALogP
4
HBA
1
HBD
89.8
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prokineticin receptor 1 CHEMBL5649 | IC50 | 6.33 | 6.33 | 470.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 6.33 | 6.33 | 470.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prokineticin receptor 1 | IC50 | = | 470.0 | nM | 6.33 | Antagonist activity at human PKR1 expressed in RBL2H3 cells assessed as inhibiti... | - |
| Unchecked | IC50 | = | 470.0 | nM | 6.33 | BIOLOGICAL ASSAY: Prokineticin receptor 1 (PKR1) antagonists may be functionally... | - |
| Unchecked | IC50 | = | 470.0 | nM | 6.33 | BIOLOGICAL ASSAY: Prokineticin receptor 1 (PKR1) antagonists may be functionally... | - |
| Prokineticin receptor 1 | IC50 | = | 470.0 | nM | 6.33 | BIOLOGICAL ASSAY: Prokineticin receptor 1 (PKR1) antagonists may be functionally... | - |
Data from ChEMBL 36 via Core Engine