Compound Detail
CHEMBL350201
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CCOC(=O)c1c(-c2ccccc2)nc(CC)c(C(=O)SCC)c1CCCN1C(=O)c2ccccc2C1=O
Basic Information
| ChEMBL ID | CHEMBL350201 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MPVFXABWZBUWEH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
530.6
MW (Da)
5.61
ALogP
7
HBA
0
HBD
93.6
PSA (Ų)
0.25
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL318 | Ki | 5.28 | 5.28 | 5240.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 5240.0 | nM | 5.28 | Displacement of specific [3H]-CGS- 21680R-PIA binding to Adenosine A1 receptor i... | 10052977 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10052977 | 10.1021/jm980550w | Adenosine receptor A1 | 1 |
| 10052977 | 10.1021/jm980550w | Adenosine receptor A2a | 1 |
| 10052977 | 10.1021/jm980550w | Adenosine receptor A3 | 1 |
Data from ChEMBL 36 via Core Engine