Compound Detail
CHEMBL612176
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Basic Information
| ChEMBL ID | CHEMBL612176 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | REGZQZHKIFOMRK-IKYDMHQPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
498.3
MW (Da)
0.24
ALogP
10
HBA
5
HBD
151.6
PSA (Ų)
0.25
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL318 | Ki | 9.15 | 9.15 | 0.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 0.7 | nM | 9.15 | Binding affinity for Adenosine A1 receptor using [3H]- CHA or [3H]- PIA | 1738138 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1738138 | 10.1021/jm00081a001 | Adenosine receptor A1 | 1 |
Data from ChEMBL 36 via Core Engine