Compound Detail
CHEMBL59466
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Basic Information
| ChEMBL ID | CHEMBL59466 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FYVRWMAVMDCLPI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
440.5
MW (Da)
4.87
ALogP
6
HBA
1
HBD
89.5
PSA (Ų)
0.48
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL318 | IC50 | 7.8 | 7.8 | 16.0 | 1 |
| Adenosine receptor A2a CHEMBL302 | IC50 | 5.26 | 5.26 | 5500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | IC50 | = | 16.0 | nM | 7.8 | Inhibitory activity against Adenosine A1 Receptor using [3H]CHA in rat cortical ... | 10450966 |
| Adenosine receptor A2a | IC50 | = | 5500.0 | nM | 5.26 | Inhibitory activity against Adenosine A2a receptor using [3H]NECA in rat striata... | 10450966 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10450966 | 10.1016/s0960-894x(99)00304-2 | Adenosine receptor A1 | 1 |
| 10450966 | 10.1016/s0960-894x(99)00304-2 | Adenosine receptor A2a | 1 |
| 10450966 | 10.1016/s0960-894x(99)00304-2 | Adenosine receptors; A1 & A2a | 1 |
Data from ChEMBL 36 via Core Engine