Compound Detail
CHEMBL98603
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Basic Information
| ChEMBL ID | CHEMBL98603 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CGSZRCYBQDADPV-KBMGPZOWSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
349.4
MW (Da)
0.22
ALogP
9
HBA
4
HBD
139.5
PSA (Ų)
0.54
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A2a CHEMBL302 | Ki | 7.85 | 7.85 | 14.0 | 2 |
| Adenosine receptor A1 CHEMBL318 | Ki | 6.48 | 6.48 | 332.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A2a | Ki | = | 14.0 | nM | 7.85 | Displacement of [3H]-CGS- 51680 from Adenosine A2A receptor of rat striatum. | 8863798 |
| Adenosine receptor A2a | Ki | = | 14.0 | nM | 7.85 | Receptor binding affinity for the adenosine A2A receptor was determined using [3... | 12270178 |
| Adenosine receptor A1 | Ki | = | 332.0 | nM | 6.48 | Displacement of [3H]CHA from Adenosine A1 receptor of rat brain | 8863798 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8863798 | 10.1021/jm960376g | Adenosine receptor A2a | 3 |
| 8863798 | 10.1021/jm960376g | Adenosine receptor A1 | 2 |
| 8863798 | 10.1021/jm960376g | Adenosine receptors; A1 & A2a | 1 |
| 12270178 | 10.1016/s0960-894x(02)00609-1 | Adenosine receptor A2a | 1 |
Data from ChEMBL 36 via Core Engine