Compound Detail
CHEMBL612221
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Basic Information
| ChEMBL ID | CHEMBL612221 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HUWGECVGHUBNOU-IKYDMHQPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
357.4
MW (Da)
0.49
ALogP
9
HBA
4
HBD
125.5
PSA (Ų)
0.53
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL318 | IC50 | 7.57 | 7.57 | 26.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | IC50 | = | 26.92 | nM | 7.57 | Evaluated for binding affinity against Adenosine A1 receptor | 1542091 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3012086 | 10.1021/jm00156a016 | Adenosine A2 receptor | 2 |
| 1542091 | 10.1021/jm00082a003 | Adenosine receptor A1 | 1 |
| 3012086 | 10.1021/jm00156a016 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine