Compound Detail
CHEMBL4455311
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 | CHEMBL4455311 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TXUCGLJAJYUWIX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
425.5
MW (Da)
4.64
ALogP
4
HBA
3
HBD
102.2
PSA (Ų)
0.55
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2Y purinoceptor 14 CHEMBL4518 | IC50 | 8.34 | 8.34 | 4.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2Y purinoceptor 14 | IC50 | = | 4.54 | nM | 8.34 | Antagonist activity at human P2Y14R stably expressed in human forskolin treated ... | 31376563 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31376563 | 10.1016/j.ejmech.2019.111564 | P2Y purinoceptor 14 | 2 |
Data from ChEMBL 36 via Core Engine