Compound Detail
CHEMBL2029007
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BP(=O)(OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.CCCCN(CCCC)CCCC.CCCCN(CCCC)CCCC.CCCCN(CCCC)CCCC
Basic Information
| ChEMBL ID | CHEMBL2029007 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QRMRLUFYJMVJHT-AVVANNIKSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
1308.3
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2Y purinoceptor 1 CHEMBL5720 | EC50 | 6.12 | 6.11 | 760.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2Y purinoceptor 1 | EC50 | = | 760.0 | nM | 6.12 | Agonist activity at turkey P2Y purinoceptor 1 expressed in human 1321N1 cells as... | 22107038 |
| P2Y purinoceptor 1 | EC50 | = | 800.0 | nM | 6.1 | Agonist activity at turkey P2Y purinoceptor 1 expressed in human 1321N1 cells as... | 22107038 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22107038 | 10.1021/jm2013198 | P2Y purinoceptor 1 | 4 |
| 22107038 | 10.1021/jm2013198 | P2Y purinoceptor 2 | 4 |
| 22107038 | 10.1021/jm2013198 | P2Y purinoceptor 4 | 4 |
| 22107038 | 10.1021/jm2013198 | P2Y purinoceptor 6 | 4 |
| 22107038 | 10.1021/jm2013198 | ADMET | 2 |
Data from ChEMBL 36 via Core Engine