Compound Detail
CHEMBL601711
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[BH3-]P(=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-].[Na+].[Na+].[Na+].[Na+]
Basic Information
| ChEMBL ID | CHEMBL601711 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WBNGHUVHRVWRPJ-AGVJRWMFSA-K |
| Parent Compound | CHEMBL2364572 |
| Active Moiety | CHEMBL2364572 |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
549.1
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2Y purinoceptor 1 CHEMBL2497 | EC50 | 8.59 | 8.59 | 2.6 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| 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 | Agonists activity was evaluated by release of [Ca2+] release of HEK 293 cells st... | 12431066 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12431066 | 10.1021/jm020251d | Bos taurus | 2 |
| 12431066 | 10.1021/jm020251d | ADMET | 2 |
| 12431066 | 10.1021/jm020251d | P2Y purinoceptor 1 | 1 |
Data from ChEMBL 36 via Core Engine