Compound Detail
CHEMBL2364572
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
BP(=O)(OC[C@H]1O[C@@H](n2cnc3c(N)nc(SC)nc32)[C@H](O)[C@@H]1O)OP(=O)(O)OP(=O)(O)O
Basic Information
| ChEMBL ID | CHEMBL2364572 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KHMUPMBEWSCYSG-VWJVIAGJSA-N |
1
Targets
3
Activities
1
Assay Types
2
PK Parameters
5
Publications
0
Known Names
Molecular Properties
549.1
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 8.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2Y purinoceptor 1 CHEMBL2497 | EC50 | 8.59 | 7.8067 | 2.6 | 3 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 1395.0 | hr | - |
| T1/2 | 5.9 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2Y purinoceptor 1 | EC50 | = | 2.6 | nM | 8.59 | Concentration required for calcium mobilization at rat purinergic 2Y1 receptor e... | 15317453 |
| P2Y purinoceptor 1 | EC50 | = | 28.0 | nM | 7.55 | Agonist activity at rat pancreas P2Y1 receptor assessed as enhancement of insuli... | 18760862 |
| P2Y purinoceptor 1 | EC50 | = | 53.0 | nM | 7.28 | Concentration required for calcium mobilization at rat purinergic 2Y1 receptor e... | 15317453 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15317453 | 10.1021/jm049771u | P2Y purinoceptor 1 | 2 |
| 18760862 | 10.1016/j.ejmech.2008.07.015 | P2Y purinoceptor 1 | 2 |
| 18760862 | 10.1016/j.ejmech.2008.07.015 | No relevant target | 2 |
| 18760862 | 10.1016/j.ejmech.2008.07.015 | ADMET | 2 |
| 18760862 | 10.1016/j.ejmech.2008.07.015 | Ectonucleoside triphosphate diphosphohydrolase 1 | 2 |
Data from ChEMBL 36 via Core Engine