Compound Detail
CHEMBL5194597
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 | CHEMBL5194597 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OMNWSABIUCCXNY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
428.3
MW (Da)
5.85
ALogP
5
HBA
1
HBD
77.2
PSA (Ų)
0.43
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2X purinoceptor 3 CHEMBL2998 | IC50 | 4.86 | 4.86 | 13800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2X purinoceptor 3 | IC50 | = | 13800.0 | nM | 4.86 | Antagonist activity at human P2X3R expressed in HEK293 cells assessed as reducti... | 35849939 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35849939 | 10.1016/j.ejmech.2022.114556 | P2X purinoceptor 3 | 1 |
Data from ChEMBL 36 via Core Engine