Compound Detail
CHEMBL315458
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL315458 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DGRFYZXGLMGURO-YYDJUVGSSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
415.5
MW (Da)
4.91
ALogP
5
HBA
1
HBD
68.1
PSA (Ų)
0.43
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 7.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A3 CHEMBL256 | Ki | 7.12 | 7.12 | 75.0 | 3 |
| Adenosine receptor A1 CHEMBL318 | Ki | 4.96 | 4.96 | 11000.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A3 | Ki | = | 76.6 | nM | 7.12 | Displacement of specific [125I]AB-MECA binding at human adenosine A3 receptor. | 9258367 |
| Adenosine receptor A3 | Ki | = | 76.6 | nM | 7.12 | Inhibition of [125I]- AB-MECA binding to human Adenosine A3 receptors expressed ... | 8917655 |
| Adenosine receptor A3 | Ki | = | 75.0 | nM | 7.12 | Displacement of [125 I]AB-MECA from Adenosine A3 receptor expressed in HEK cells | 10447949 |
| Adenosine receptor A1 | Ki | = | 11000.0 | nM | 4.96 | Displacement of specific [3H](R)-PIA binding at adenosine A1 receptor from rat b... | 9258367 |
| Adenosine receptor A1 | Ki | = | 11000.0 | nM | 4.96 | Binding affinity against adenosine A1 receptor in rat cerebral cortex membrane b... | 8917655 |
| Adenosine receptor A1 | Ki | = | 11000.0 | nM | 4.96 | Displacement of [3H]-R-PIA from adenosine A1 receptor of rat brain membrane | 10447949 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9258367 | 10.1021/jm970091j | Adenosine receptor A1 | 1 |
| 9258367 | 10.1021/jm970091j | Adenosine receptor A2a | 1 |
| 9258367 | 10.1021/jm970091j | Adenosine receptor A3 | 1 |
| 9258367 | 10.1021/jm970091j | Unchecked | 1 |
| 8917655 | 10.1021/jm960457c | Adenosine receptor A1 | 1 |
| 8917655 | 10.1021/jm960457c | Adenosine receptor A2a | 1 |
| 8917655 | 10.1021/jm960457c | Adenosine receptor A3 | 1 |
| 8917655 | 10.1021/jm960457c | Unchecked | 1 |
| 10447949 | 10.1021/jm980688e | Adenosine receptor A1 | 1 |
| 10447949 | 10.1021/jm980688e | Adenosine receptor A2a | 1 |
| 10447949 | 10.1021/jm980688e | Adenosine receptor A3 | 1 |
| 10447949 | 10.1021/jm980688e | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine