Compound Detail
CHEMBL603354
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Basic Information
| ChEMBL ID | CHEMBL603354 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KVVXGGBOVOUTBB-VTHZCTBJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
262.2
MW (Da)
-1.45
ALogP
9
HBA
3
HBD
143.1
PSA (Ų)
0.57
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P3 purinoceptor CHEMBL612413 | Ki | 7.19 | 7.19 | 64.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P3 purinoceptor | Ki | = | 64.0 | nM | 7.19 | Binding activity was evaluated on P3 purinoceptor-like protein from rat brain me... | 9667957 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00270-4 | Influenza B virus | 2 |
| 9667957 | 10.1021/jm9802822 | P3 purinoceptor | 1 |
| - | 10.1016/0960-894X(95)00270-4 | Vesicular stomatitis virus | 1 |
| - | 10.1016/0960-894X(95)00270-4 | Human betaherpesvirus 5 | 1 |
| - | 10.1016/0960-894X(95)00270-4 | Influenza A virus | 1 |
Data from ChEMBL 36 via Core Engine