Compound Detail
CHEMBL331358
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Basic Information
| ChEMBL ID | CHEMBL331358 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MBZBMJJOTAMPEC-VHEBQXMUSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
423.3
MW (Da)
2.40
ALogP
8
HBA
5
HBD
207.0
PSA (Ų)
0.25
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2X purinoceptor 1 CHEMBL2530 | IC50 | 7.43 | 7.43 | 37.0 | 1 |
| P2X purinoceptor 3 CHEMBL4824 | IC50 | 6.48 | 6.48 | 330.0 | 1 |
| P2X purinoceptor 2 CHEMBL2135 | IC50 | 6.31 | 6.31 | 486.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2X purinoceptor 1 | IC50 | = | 37.0 | nM | 7.43 | Inhibition of inward ion current elicited by ATP at P2X1 receptor expressed in X... | 11462975 |
| P2X purinoceptor 3 | IC50 | = | 330.0 | nM | 6.48 | Inhibition of inward ion current elicited by ATP was determined at recombinant P... | 11462975 |
| P2X purinoceptor 2 | IC50 | = | 486.0 | nM | 6.31 | Inhibition of inward ion current elicited by ATP at P2X2 receptor expressed in X... | 11462975 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11462975 | 10.1021/jm9904203 | P2X purinoceptor 1 | 1 |
| 11462975 | 10.1021/jm9904203 | P2X purinoceptor 2 | 1 |
| 11462975 | 10.1021/jm9904203 | P2X purinoceptor 3 | 1 |
Data from ChEMBL 36 via Core Engine