Compound Detail
CHEMBL128176
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Basic Information
| ChEMBL ID | CHEMBL128176 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QRDVRBCDBYRKMD-IDTAVKCVSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
350.4
MW (Da)
-0.63
ALogP
10
HBA
5
HBD
151.6
PSA (Ų)
0.49
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.29
IC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A2a CHEMBL251 | Ki | 8.29 | 8.29 | 5.1 | 1 |
| Adenosine receptor A1 CHEMBL2304404 | Ki | 6.26 | 6.26 | 549.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A2a | Ki | = | 5.1 | nM | 8.29 | In vitro inhibition of human neutrophil activation via Adenosine A2A receptor. | 10714510 |
| Adenosine receptor A1 | Ki | = | 549.0 | nM | 6.26 | Ex vivo inhibition of guinea pig ileum twitch via Adenosine A1 receptor. | 10714510 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11063610 | 10.1021/jm000287a | Phosphoglycerate kinase | 1 |
| 10714510 | 10.1016/s0960-894x(00)00017-2 | Adenosine receptor A2a | 1 |
| 10714510 | 10.1016/s0960-894x(00)00017-2 | Adenosine receptor A1 | 1 |
Data from ChEMBL 36 via Core Engine