Compound Detail
CHEMBL496985
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Basic Information
| ChEMBL ID | CHEMBL496985 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RVUVWWRSIWGIQQ-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
392.5
MW (Da)
4.87
ALogP
6
HBA
2
HBD
81.7
PSA (Ų)
0.42
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 6.53
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL318 | Ki | 6.53 | 6.465 | 294.0 | 2 |
| Adenosine receptor A2a CHEMBL251 | Ki | 5.38 | 5.31 | 4170.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 294.0 | nM | 6.53 | Displacement of [3H]CCPA from adenosine A1 receptor in Wistar rat cerebral corte... | 18045744 |
| Adenosine receptor A1 | Ki | = | 396.0 | nM | 6.4 | Displacement of [3H]DPCPX from adenosine A1 receptor in Wistar rat cerebral cort... | 18045744 |
| Adenosine receptor A2a | Ki | = | 4170.0 | nM | 5.38 | Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor expre... | 18045744 |
| Adenosine receptor A2a | Ki | = | 5737.0 | nM | 5.24 | Displacement of [3H]ZM241385 from human recombinant adenosine A2A receptor expre... | 18045744 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18045744 | 10.1016/j.ejmech.2007.10.021 | Adenosine receptor A1 | 4 |
| 18045744 | 10.1016/j.ejmech.2007.10.021 | Adenosine receptor A2a | 4 |
| 18045744 | 10.1016/j.ejmech.2007.10.021 | Adenosine receptor A3 | 1 |
Data from ChEMBL 36 via Core Engine