Compound Detail
CHEMBL612161
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Basic Information
| ChEMBL ID | CHEMBL612161 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ULQCKSPKFVTUII-ABLYXCJOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
415.5
MW (Da)
1.12
ALogP
9
HBA
4
HBD
139.5
PSA (Ų)
0.42
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine A2 receptor CHEMBL2094117 | Ki | 7.34 | 7.34 | 46.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine A2 receptor | Ki | = | 46.0 | nM | 7.34 | Inhibition of [3H]NECA binding to adenosine A2 receptor from rat striatal membra... | 1613750 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1613750 | 10.1021/jm00090a017 | Rattus norvegicus | 2 |
| 1613750 | 10.1021/jm00090a017 | Adenosine receptor A1 | 1 |
| 1613750 | 10.1021/jm00090a017 | Adenosine A2 receptor | 1 |
| 1613750 | 10.1021/jm00090a017 | Adenosine receptors; A1 & A2 | 1 |
Data from ChEMBL 36 via Core Engine