Compound Detail
CHEMBL156622
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Basic Information
| ChEMBL ID | CHEMBL156622 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YZLVQSTZDPGPKU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
326.4
MW (Da)
2.30
ALogP
5
HBA
1
HBD
72.7
PSA (Ų)
0.76
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL318 | Ki | 6.05 | 6.05 | 891.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 891.25 | nM | 6.05 | Evaluated for binding affinity against Adenosine A1 receptor | 1542091 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1542091 | 10.1021/jm00082a003 | Adenosine receptor A1 | 1 |
Data from ChEMBL 36 via Core Engine