Compound Detail
CHEMBL250848
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
CCCCNc1nc(SCCC)nc2c1nnn2[C@@H]1C[C@H](C(N)=O)[C@@H](O)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL250848 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NOJSNYFLPVKYIG-YGNMPJRFSA-N |
1
Targets
1
Activities
1
Assay Types
3
PK Parameters
2
Publications
0
Known Names
Molecular Properties
409.5
MW (Da)
0.70
ALogP
10
HBA
4
HBD
152.1
PSA (Ų)
0.27
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2Y purinoceptor 12 CHEMBL2001 | Ki | 7.7 | 7.7 | 19.9 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 21.0 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 5.0 | % | Rattus norvegicus |
| T1/2 | 1.4 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2Y purinoceptor 12 | Ki | = | 19.95 | nM | 7.7 | Displacement of [125I] labeled ligand from human P2Y12 receptor in human platele... | 17827008 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17827008 | 10.1016/j.bmcl.2007.07.057 | Rattus norvegicus | 4 |
| 17827008 | 10.1016/j.bmcl.2007.07.057 | P2Y purinoceptor 12 | 1 |
Data from ChEMBL 36 via Core Engine