Compound Detail
CHEMBL367240
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CCCn1c(=O)c2nc(CC34C[C@H]5C[C@@H](C3)C[C@@H](C4)C5)[nH]c2n(CCC)c1=O
Basic Information
| ChEMBL ID | CHEMBL367240 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WMOOCJKZZKAZRT-GGTBJBEQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
384.5
MW (Da)
3.47
ALogP
5
HBA
1
HBD
72.7
PSA (Ų)
0.83
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL2304404 | Ki | 6.06 | 6.06 | 880.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 880.0 | nM | 6.06 | Binding affinity against adenosine A1 receptor using N6-[3H]cyclohexyladenosine ... | 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