Compound Detail
CHEMBL3732768
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Basic Information
| ChEMBL ID | CHEMBL3732768 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OSQOURHXWJQPNS-OAHLLOKOSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
401.5
MW (Da)
3.19
ALogP
8
HBA
1
HBD
99.8
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2X purinoceptor 3 CHEMBL2998 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| P2X2/P2X3 heterotrimeric receptor CHEMBL3831281 | IC50 | 8.0 | 7.395 | 10.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2X2/P2X3 heterotrimeric receptor | IC50 | = | 10.0 | nM | 8.0 | Antagonist activity against rat or human P2X3 receptor expressed in HEK293/1321N... | - |
| P2X purinoceptor 3 | IC50 | = | 10.0 | nM | 8.0 | Antagonist activity at human P2X3 receptor expressed in HEK293 cells assessed as... | 27426300 |
| P2X2/P2X3 heterotrimeric receptor | IC50 | = | 164.0 | nM | 6.79 | Antagonist activity against human P2X2/3 receptor expressed in HEK293/1321N1 cel... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27426300 | 10.1016/j.bmcl.2016.07.013 | P2X purinoceptor 3 | 1 |
Data from ChEMBL 36 via Core Engine