Compound Detail
CHEMBL469244
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CCOP(=O)(CCNC(=O)CNC(=O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O)OCC
Basic Information
| ChEMBL ID | CHEMBL469244 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HXNIHRMRMDMGRU-KNCOVGOOSA-N |
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
478.4
MW (Da)
-2.35
ALogP
11
HBA
5
HBD
198.3
PSA (Ų)
0.21
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas.
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18630897 | 10.1021/jm800175e | Ectonucleoside triphosphate diphosphohydrolase 1 | 1 |
| 18630897 | 10.1021/jm800175e | Ectonucleoside triphosphate diphosphohydrolase 2 | 1 |
| 18630897 | 10.1021/jm800175e | Ectonucleoside triphosphate diphosphohydrolase 3 | 1 |
| 18630897 | 10.1021/jm800175e | Ectonucleoside triphosphate diphosphohydrolase 8 | 1 |
| 18630897 | 10.1021/jm800175e | P2Y purinoceptor 2 | 1 |
| 18630897 | 10.1021/jm800175e | P2Y purinoceptor 4 | 1 |
| 18630897 | 10.1021/jm800175e | P2Y purinoceptor 6 | 1 |
Data from ChEMBL 36 via Core Engine