Compound Detail
CHEMBL3732421
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Basic Information
| ChEMBL ID | CHEMBL3732421 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LAKQJAHJFOBGJH-GOSISDBHSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
470.9
MW (Da)
4.43
ALogP
7
HBA
2
HBD
98.0
PSA (Ų)
0.53
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2X2/P2X3 heterotrimeric receptor CHEMBL3831281 | IC50 | 7.5 | 7.03 | 32.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2X2/P2X3 heterotrimeric receptor | IC50 | = | 32.0 | nM | 7.5 | Antagonist activity against rat or human P2X3 receptor expressed in HEK293/1321N... | - |
| P2X2/P2X3 heterotrimeric receptor | IC50 | = | 273.0 | nM | 6.56 | Antagonist activity against human P2X2/3 receptor expressed in HEK293/1321N1 cel... | - |
Data from ChEMBL 36 via Core Engine