Compound Detail
CHEMBL174120
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Basic Information
| ChEMBL ID | CHEMBL174120 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KLNMDWXOKKWGJH-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
333.4
MW (Da)
2.14
ALogP
7
HBA
1
HBD
85.6
PSA (Ų)
0.77
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL2304404 | Ki | 6.39 | 6.39 | 410.0 | 1 |
| Adenosine A2 receptor CHEMBL2094117 | Ki | 5.64 | 5.64 | 2300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 410.0 | nM | 6.39 | Binding affinity against adenosine A1 receptor using N6-[3H]cyclohexyladenosine ... | 1548682 |
| Adenosine A2 receptor | Ki | = | 2300.0 | nM | 5.64 | Binding affinity against adenosine A2 receptor using N-[3H]-ethyladenosin-5''-ur... | 1548682 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1548682 | 10.1021/jm00083a018 | Adenosine receptor A1 | 1 |
| 1548682 | 10.1021/jm00083a018 | Adenosine A2 receptor | 1 |
| 1548682 | 10.1021/jm00083a018 | Adenosine receptors; A1 & A2 | 1 |
Data from ChEMBL 36 via Core Engine