Compound Detail
CHEMBL2313113
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Basic Information
| ChEMBL ID | CHEMBL2313113 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GDFPOIHRMVYESO-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
333.2
MW (Da)
4.98
ALogP
1
HBA
1
HBD
29.1
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2X purinoceptor 1 CHEMBL2094 | IC50 | 5.68 | 5.5267 | 2100.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2X purinoceptor 1 | IC50 | = | 2100.0 | nM | 5.68 | Antagonist activity P2X1 receptor in Apyrase pre-treated human platelets assesse... | 32345019 |
| P2X purinoceptor 1 | IC50 | = | 2220.0 | nM | 5.65 | Antagonist activity at non-desensitizing human P2X1 receptor ( P2X2/P2X1 chimera... | 32345019 |
| P2X purinoceptor 1 | IC50 | = | 5570.0 | nM | 5.25 | Antagonist activity P2X1 receptor in Apyrase pre-treated human platelets assesse... | 32345019 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32345019 | 10.1021/acs.jmedchem.0c00435 | P2X purinoceptor 1 | 6 |
| 23211970 | 10.1016/j.bmc.2012.10.056 | ADMET | 1 |
| 23211970 | 10.1016/j.bmc.2012.10.056 | Mycobacterium tuberculosis | 1 |
Data from ChEMBL 36 via Core Engine