Compound Detail
CHEMBL4634217
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Basic Information
| ChEMBL ID | CHEMBL4634217 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LRICLHSLMATMQM-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
225.2
MW (Da)
2.97
ALogP
3
HBA
1
HBD
38.3
PSA (Ų)
0.76
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL318 | Ki | 5.3 | 5.27 | 5060.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 5060.0 | nM | 5.3 | Displacement of [3H]DPCPX from Sprague-Dawley rat whole brain membrane A1AR by s... | 32631506 |
| Adenosine receptor A1 | Ki | = | 5720.0 | nM | 5.24 | Displacement of [3H]DPCPX from Sprague-Dawley rat whole brain membrane A1AR in p... | 32631506 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32631506 | 10.1016/j.bmcl.2020.127274 | Adenosine receptor A1 | 3 |
| 32631506 | 10.1016/j.bmcl.2020.127274 | Adenosine receptor A2a | 2 |
Data from ChEMBL 36 via Core Engine