Compound Detail
CHEMBL606288
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Basic Information
| ChEMBL ID | CHEMBL606288 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FYBIHTIDCZIHLB-IYVNBVMVSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
309.3
MW (Da)
-1.40
ALogP
9
HBA
3
HBD
133.8
PSA (Ų)
0.63
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas.
IC50 1 meas. best 5.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL318 | IC50 | 5.02 | 5.02 | 9600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | IC50 | = | 9600.0 | nM | 5.02 | Potency against rat brain adenosine A1 receptor | 3018244 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3018244 | 10.1021/jm00159a020 | Adenosine A2 receptor | 2 |
| 3018244 | 10.1021/jm00159a020 | Canis familiaris | 1 |
| 3018244 | 10.1021/jm00159a020 | Adenosine receptor A1 | 1 |
Data from ChEMBL 36 via Core Engine