Compound Detail
CHEMBL5568116
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Basic Information
| ChEMBL ID | CHEMBL5568116 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UKIIONXOSPODBR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
368.4
MW (Da)
4.50
ALogP
5
HBA
2
HBD
88.5
PSA (Ų)
0.69
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2Y purinoceptor 14 CHEMBL4518 | IC50 | 9.26 | 9.26 | 0.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2Y purinoceptor 14 | IC50 | = | 0.55 | nM | 9.26 | Antagonist activity at P2Y14R (unknown origin) stably expressed in HEK293 cells ... | 38959216 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38959216 | 10.1021/acs.jmedchem.4c00699 | P2Y purinoceptor 14 | 2 |
| 38959216 | 10.1021/acs.jmedchem.4c00699 | ADMET | 2 |
| 38959216 | 10.1021/acs.jmedchem.4c00699 | No relevant target | 2 |
Data from ChEMBL 36 via Core Engine