Compound Detail
CHEMBL2029010
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BP(=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O.CCCCN(CCCC)CCCC.CCCCN(CCCC)CCCC.CCCCN(CCCC)CCCC.CCCCN(CCCC)CCCC
Basic Information
| ChEMBL ID | CHEMBL2029010 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VVLNSAXNRFWPBR-DTBXOUEHSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
1527.5
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 5.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2Y purinoceptor 6 CHEMBL3543 | EC50 | 5.41 | 4.925 | 3900.0 | 2 |
| P2Y purinoceptor 4 CHEMBL2123 | EC50 | 5.03 | 4.905 | 9400.0 | 2 |
| P2Y purinoceptor 2 CHEMBL4398 | EC50 | 4.61 | 4.61 | 24600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2Y purinoceptor 6 | EC50 | = | 3900.0 | nM | 5.41 | Agonist activity at rat P2Y purinoceptor 6 expressed in human 1321N1 cells asses... | 22107038 |
| P2Y purinoceptor 4 | EC50 | = | 9400.0 | nM | 5.03 | Agonist activity at human P2Y purinoceptor 4 expressed in human 1321N1 cells ass... | 22107038 |
| P2Y purinoceptor 4 | EC50 | = | 16800.0 | nM | 4.78 | Agonist activity at human P2Y purinoceptor 4 expressed in human 1321N1 cells ass... | 22107038 |
| P2Y purinoceptor 2 | EC50 | = | 24600.0 | nM | 4.61 | Agonist activity at human P2Y purinoceptor 2 expressed in human 1321N1 cells ass... | 22107038 |
| P2Y purinoceptor 6 | EC50 | = | 36100.0 | nM | 4.44 | Agonist activity at rat P2Y purinoceptor 6 expressed in human 1321N1 cells asses... | 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