Compound Detail
CHEMBL4871413
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Basic Information
| ChEMBL ID | CHEMBL4871413 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LMQCGAHJTABBJT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
337.4
MW (Da)
4.67
ALogP
3
HBA
2
HBD
66.4
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2Y purinoceptor 14 CHEMBL4518 | IC50 | 8.01 | 8.01 | 9.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2Y purinoceptor 14 | IC50 | = | 9.74 | nM | 8.01 | Antagonist activity at P2Y14 (unknown origin) expressed in HEK293 cells assessed... | 33667846 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33667846 | 10.1016/j.ejmech.2021.113313 | P2Y purinoceptor 14 | 2 |
Data from ChEMBL 36 via Core Engine