Compound Detail
CHEMBL24774
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Basic Information
| ChEMBL ID | CHEMBL24774 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NHCLZKKZQJJXER-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
332.4
MW (Da)
1.98
ALogP
5
HBA
1
HBD
72.7
PSA (Ų)
0.62
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 5.7
IC50 2 meas. best 5.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL318 | Ki | 5.7 | 5.7 | 2000.0 | 2 |
| Adenosine receptor A1 CHEMBL318 | IC50 | 5.16 | 5.16 | 7000.0 | 1 |
| Adenosine receptor A2a CHEMBL2605 | Ki | 4.85 | 4.85 | 14000.0 | 1 |
| Cavia porcellus CHEMBL369 | IC50 | 4.46 | 4.46 | 35000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 2000.0 | nM | 5.7 | Ability to inhibit binding of 1 nM [3H]cyclohexyladenosine to adenosine A1 recep... | 3806581 |
| Adenosine receptor A1 | Ki | = | 2000.0 | nM | 5.7 | Displacement of [3H]PIA from adenosine A1 receptors of rat brain membrane | 7932565 |
| Adenosine receptor A1 | IC50 | = | 7000.0 | nM | 5.16 | Antagonism of adenosine A1 receptor assessed from the ability to inhibit binding... | 6090665 |
| Adenosine receptor A2a | Ki | = | 14000.0 | nM | 4.85 | Compound was evaluated for its ability to antagonise cyclic [3H]AMP accumulation... | 3806581 |
| Cavia porcellus | IC50 | = | 35000.0 | nM | 4.46 | Ability to inhibit 2-chloroadenosine (15 uM)-elicited accumulations of cyclic AM... | 6090665 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3806581 | 10.1021/jm00157a035 | Adenosine receptor A1 | 1 |
| 3806581 | 10.1021/jm00157a035 | Adenosine receptor A2a | 1 |
| 3806581 | 10.1021/jm00157a035 | Unchecked | 1 |
| 6090665 | 10.1021/jm00376a027 | Adenosine receptor A1 | 1 |
| 6090665 | 10.1021/jm00376a027 | Cavia porcellus | 1 |
| 7932565 | 10.1021/jm00046a022 | Adenosine receptor A1 | 1 |
| 7932565 | 10.1021/jm00046a022 | Adenosine receptor A2a | 1 |
| 7932565 | 10.1021/jm00046a022 | Adenosine receptor A3 | 1 |
| 7932565 | 10.1021/jm00046a022 | Adenosine receptors; A1 & A3 | 1 |
Data from ChEMBL 36 via Core Engine