Compound Detail
CHEMBL607777
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Basic Information
| ChEMBL ID | CHEMBL607777 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CGBXXQWVMLPKMU-AARXTDBFSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
361.3
MW (Da)
0.32
ALogP
9
HBA
4
HBD
125.5
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL318 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| Adenosine receptor A1 CHEMBL2114 | IC50 | 7.99 | 7.99 | 10.3 | 1 |
| Adenosine A2 receptor CHEMBL2094117 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | IC50 | = | 1.0 | nM | 9.0 | Evaluated for binding affinity against Adenosine A1 receptor | 1542091 |
| Adenosine receptor A1 | IC50 | = | 10.3 | nM | 7.99 | Displacement of [125I]ABA from adenosine A1 receptor of chick cerebellar membran... | 3572985 |
| Adenosine A2 receptor | IC50 | = | 1600.0 | nM | 5.8 | Displacement of [3H]-NECA from adenosine A2 receptor of rat striatal membrane | 3572985 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3012086 | 10.1021/jm00156a016 | Adenosine A2 receptor | 4 |
| 3572985 | 10.1021/jm00388a039 | Adenosine receptor A1 | 1 |
| 3572985 | 10.1021/jm00388a039 | Adenosine A2 receptor | 1 |
| 3572985 | 10.1021/jm00388a039 | Unchecked | 1 |
| 1542091 | 10.1021/jm00082a003 | Adenosine receptor A1 | 1 |
| 3012086 | 10.1021/jm00156a016 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine