Compound Detail
CHEMBL5207498
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
Basic Information
| ChEMBL ID | CHEMBL5207498 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BPJQQDPYIWZQJP-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
327.4
MW (Da)
2.22
ALogP
6
HBA
2
HBD
95.9
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A2b CHEMBL255 | Ki | 9.18 | 8.925 | 0.7 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A2b | Ki | = | 0.6607 | nM | 9.18 | Displacement of [3H]PSB-603 from human adenosine A2B receptor expressed in CHO c... | 35923720 |
| Adenosine receptor A2b | Ki | = | 2.138 | nM | 8.67 | 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 | 4 |
| 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