Compound Detail
CHEMBL611285
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CCCCCCSc1nc(N)c2ncn(C3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)c2n1
Basic Information
| ChEMBL ID | CHEMBL611285 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XQBNYWRZZXSFQQ-FJFSNTMWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
623.4
MW (Da)
1.04
ALogP
15
HBA
7
HBD
279.1
PSA (Ų)
0.07
QED
3
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2Y purinoceptor 1 CHEMBL5720 | EC50 | 8.0 | 8.0 | 10.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2Y purinoceptor 1 | EC50 | = | 10.0 | nM | 8.0 | Agonistic activity for P2Y purinoceptor 1 of turkey erythrocyte membranes | 10479295 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8254622 | 10.1021/jm00076a023 | Cavia porcellus | 3 |
| 8254622 | 10.1021/jm00076a023 | Oryctolagus cuniculus | 3 |
| 8254622 | 10.1021/jm00076a023 | Unchecked | 1 |
| 10479295 | 10.1021/jm990158y | P2Y purinoceptor 1 | 1 |
Data from ChEMBL 36 via Core Engine