Compound Detail
CHEMBL3717153
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 | CHEMBL3717153 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PAWGQOGEMNSJDJ-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
284.3
MW (Da)
2.24
ALogP
6
HBA
3
HBD
107.3
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2X purinoceptor 3 CHEMBL4824 | IC50 | 8.24 | 8.24 | 5.8 | 2 |
| P2X2/P2X3 heterotrimeric receptor CHEMBL3831281 | IC50 | 7.99 | 7.99 | 10.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2X purinoceptor 3 | IC50 | = | 5.754 | nM | 8.24 | Antagonist activity against rat P2X3 receptor expressed in CHOK1 cells assessed ... | - |
| P2X purinoceptor 3 | IC50 | = | 5.754 | nM | 8.24 | Antagonist activity against rat P2X3 receptor expressed in CHOK1 cells assessed ... | - |
| P2X2/P2X3 heterotrimeric receptor | IC50 | = | 10.23 | nM | 7.99 | Antagonist activity against human P2X2/3 receptor expressed in CHOK1 cells asses... | - |
| P2X2/P2X3 heterotrimeric receptor | IC50 | = | 10.23 | nM | 7.99 | Antagonist activity against human P2X2/3 receptor expressed in CHOK1 cells asses... | - |
Data from ChEMBL 36 via Core Engine