Compound Detail
CHEMBL208824
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 | CHEMBL208824 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BXOBNALLJPAQHL-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
404.4
MW (Da)
1.89
ALogP
7
HBA
1
HBD
90.5
PSA (Ų)
0.56
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A2b CHEMBL255 | Ki | 9.0 | 9.0 | 1.0 | 2 |
| Adenosine receptor A2a CHEMBL251 | Ki | 6.16 | 6.16 | 690.0 | 1 |
| Adenosine receptor A1 CHEMBL226 | Ki | 6.0 | 6.0 | 990.0 | 1 |
| Adenosine receptor A3 CHEMBL256 | Ki | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A2b | Ki | = | 1.0 | nM | 9.0 | Displacement of [3H]ZM241385 from human adenosine A2b receptor expressed in HEK ... | 16759111 |
| Adenosine receptor A2b | Ki | = | 1.0 | nM | 9.0 | Displacement of [3H]ZM-241385 from human recombinant adenosine A2B receptor expr... | 18321039 |
| Adenosine receptor A2a | Ki | = | 690.0 | nM | 6.16 | Displacement of [3H]ZM-241385 from human adenosine A2a receptor expressed in HEK... | 16759111 |
| Adenosine receptor A1 | Ki | = | 990.0 | nM | 6.0 | Displacement of [3H]CPX from human adenosine A3 receptor expressed in CHO cells | 16759111 |
| Adenosine receptor A3 | Ki | = | 1000.0 | nM | 6.0 | Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO ... | 16759111 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18321039 | 10.1021/jm7014815 | Unchecked | 3 |
| 16759111 | 10.1021/jm051268+ | Adenosine receptor A2b | 1 |
| 16759111 | 10.1021/jm051268+ | Adenosine receptor A1 | 1 |
| 16759111 | 10.1021/jm051268+ | Adenosine receptor A2a | 1 |
| 16759111 | 10.1021/jm051268+ | Adenosine receptors; A1 & A2b | 1 |
| 16759111 | 10.1021/jm051268+ | Adenosine A2 receptor | 1 |
| 16759111 | 10.1021/jm051268+ | Adenosine receptor A3 | 1 |
| 16759111 | 10.1021/jm051268+ | Adenosine receptors; A2b & A3 | 1 |
| 18321039 | 10.1021/jm7014815 | Adenosine receptor A2b | 1 |
Data from ChEMBL 36 via Core Engine