Compound Detail
CHEMBL2448400
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BP(=O)(OC[C@H]1O[C@@H](n2cnc3c(N)nc(SC)nc32)[C@H](O)[C@@H]1O)OP(=O)(O)CP(=O)(O)O
Basic Information
| ChEMBL ID | CHEMBL2448400 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ADRGMQYBPXHLCR-GHOYLPCTSA-N |
1
Targets
1
Activities
1
Assay Types
3
PK Parameters
14
Publications
0
Known Names
Molecular Properties
547.1
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2Y purinoceptor 1 CHEMBL5720 | EC50 | 4.76 | 4.76 | 17200.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 71.9 | hr | Homo sapiens |
| T1/2 | 14.5 | hr | - |
| T1/2 | 14.5 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2Y purinoceptor 1 | EC50 | = | 17200.0 | nM | 4.76 | Agonist activity at turkey P2Y1 receptor expressed in human 1321N1 cells assesse... | 18760862 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18760862 | 10.1016/j.ejmech.2008.07.015 | P2Y purinoceptor 6 | 4 |
| 18760862 | 10.1016/j.ejmech.2008.07.015 | Ectonucleoside triphosphate diphosphohydrolase 1 | 4 |
| 18760862 | 10.1016/j.ejmech.2008.07.015 | Ectonucleoside triphosphate diphosphohydrolase 2 | 4 |
| 18760862 | 10.1016/j.ejmech.2008.07.015 | Ectonucleoside triphosphate diphosphohydrolase 3 | 4 |
| 18760862 | 10.1016/j.ejmech.2008.07.015 | Ectonucleoside triphosphate diphosphohydrolase 8 | 4 |
| 18760862 | 10.1016/j.ejmech.2008.07.015 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 4 |
| 18760862 | 10.1016/j.ejmech.2008.07.015 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 3 | 4 |
| 18760862 | 10.1016/j.ejmech.2008.07.015 | P2Y purinoceptor 1 | 4 |
| 18760862 | 10.1016/j.ejmech.2008.07.015 | P2Y purinoceptor 2 | 4 |
| 18760862 | 10.1016/j.ejmech.2008.07.015 | P2Y purinoceptor 4 | 4 |
| 20337495 | 10.1021/jm100030u | No relevant target | 3 |
| 18760862 | 10.1016/j.ejmech.2008.07.015 | Serum | 2 |
| 18760862 | 10.1016/j.ejmech.2008.07.015 | ADMET | 2 |
| 18760862 | 10.1016/j.ejmech.2008.07.015 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine