Compound Detail
CHEMBL3577181
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Basic Information
| ChEMBL ID | CHEMBL3577181 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LSCJPEVNUYGUBE-DEOSSOPVSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
545.6
MW (Da)
5.01
ALogP
8
HBA
3
HBD
154.6
PSA (Ų)
0.10
QED
2
Ro5 Violations
23
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Putative P2Y purinoceptor 10 CHEMBL3562166 | EC50 | 7.26 | 7.255 | 55.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Putative P2Y purinoceptor 10 | EC50 | = | 54.95 | nM | 7.26 | Agonist activity at P2Y10 (unknown origin) transfected in HEK293A cells after 1 ... | 25970039 |
| Putative P2Y purinoceptor 10 | EC50 | = | 56.0 | nM | 7.25 | Agonist activity at P2Y10 (unknown origin) transfected in HEK293A cells after 1 ... | 25970039 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25970039 | 10.1021/jm5020082 | Putative P2Y purinoceptor 10 | 2 |
| 25970039 | 10.1021/jm5020082 | Probable G-protein coupled receptor 34 | 1 |
| 25970039 | 10.1021/jm5020082 | Probable G-protein coupled receptor 174 | 1 |
Data from ChEMBL 36 via Core Engine