Compound Detail
CHEMBL3731936
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Basic Information
| ChEMBL ID | CHEMBL3731936 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WDRMEYJAYGWMTR-OAQYLSRUSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
414.5
MW (Da)
3.46
ALogP
7
HBA
2
HBD
98.0
PSA (Ų)
0.64
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2X2/P2X3 heterotrimeric receptor CHEMBL3831281 | IC50 | 7.92 | 7.715 | 12.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2X2/P2X3 heterotrimeric receptor | IC50 | = | 12.0 | nM | 7.92 | Antagonist activity against rat or human P2X3 receptor expressed in HEK293/1321N... | - |
| P2X2/P2X3 heterotrimeric receptor | IC50 | = | 31.0 | nM | 7.51 | Antagonist activity against human P2X2/3 receptor expressed in HEK293/1321N1 cel... | - |
Data from ChEMBL 36 via Core Engine