Compound Detail
CHEMBL5175698
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Basic Information
| ChEMBL ID | CHEMBL5175698 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NGIAPQSZBAVKFO-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
369.4
MW (Da)
3.11
ALogP
7
HBA
1
HBD
85.0
PSA (Ų)
0.53
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A2b CHEMBL255 | Ki | 7.31 | 6.76 | 49.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A2b | Ki | = | 48.98 | nM | 7.31 | Displacement of [3H]PSB-603 from human adenosine A2B receptor expressed in CHO c... | 35923720 |
| Adenosine receptor A2b | Ki | = | 616.6 | nM | 6.21 | Displacement of [3H]PSB-603 from human adenosine A2B receptor expressed in CHO c... | 35923720 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35923720 | 10.1039/d2md00132b | Adenosine receptor A2b | 3 |
| 35923720 | 10.1039/d2md00132b | Adenosine receptor A2a | 2 |
| 35923720 | 10.1039/d2md00132b | Adenosine receptor A1 | 2 |
| 35923720 | 10.1039/d2md00132b | Adenosine receptor A3 | 2 |
Data from ChEMBL 36 via Core Engine