Compound Detail
CHEMBL5394118
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Basic Information
| ChEMBL ID | CHEMBL5394118 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GAAXBYBOTPWJKN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
386.8
MW (Da)
3.35
ALogP
5
HBA
2
HBD
111.8
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2Y purinoceptor 6 CHEMBL4714 | IC50 | 6.34 | 6.34 | 456.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2Y purinoceptor 6 | IC50 | = | 456.73 | nM | 6.34 | Antagonist activity at human P2Y6R expressed in HEK293 cells assessed as inhibit... | 37078976 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37078976 | 10.1021/acs.jmedchem.3c00210 | P2Y purinoceptor 6 | 2 |
Data from ChEMBL 36 via Core Engine