Compound Detail
CHEMBL196258
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 | CHEMBL196258 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PYUBHJHQYILWFE-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
286.3
MW (Da)
1.26
ALogP
8
HBA
1
HBD
100.3
PSA (Ų)
0.71
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A2a CHEMBL251 | Ki | 8.48 | 8.48 | 3.3 | 1 |
| Adenosine receptor A1 CHEMBL226 | Ki | 7.58 | 7.58 | 26.2 | 1 |
| Adenosine receptor A2b CHEMBL255 | Ki | 6.82 | 6.82 | 153.0 | 1 |
| Adenosine receptor A3 CHEMBL256 | Ki | 6.12 | 6.12 | 760.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A2a | Ki | = | 3.3 | nM | 8.48 | Binding affinity towards human Adenosine A2a receptor expressed in HEK293 cells ... | 16250647 |
| Adenosine receptor A1 | Ki | = | 26.2 | nM | 7.58 | Binding affinity towards human Adenosine A1 receptor expressed in CHO cells usin... | 16250647 |
| Adenosine receptor A2b | Ki | = | 153.0 | nM | 6.82 | Binding affinity towards human Adenosine A2b receptor expressed in HEK293 cells ... | 16250647 |
| Adenosine receptor A3 | Ki | = | 760.0 | nM | 6.12 | Binding affinity towards human Adenosine A3 receptor expressed in HEK293 cells u... | 16250647 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16250647 | 10.1021/jm058018d | GABA-A receptor; anion channel | 2 |
| 16250647 | 10.1021/jm058018d | Unchecked | 2 |
| 16250647 | 10.1021/jm058018d | Glutamate [NMDA] receptor | 2 |
| 16250647 | 10.1021/jm058018d | Adenosine receptors; A2a & A2b | 1 |
| 16250647 | 10.1021/jm058018d | Beta-1 adrenergic receptor | 1 |
| 16250647 | 10.1021/jm058018d | Adenosine receptor A2b | 1 |
| 16250647 | 10.1021/jm058018d | Muscarinic acetylcholine receptor M3 | 1 |
| 16250647 | 10.1021/jm058018d | Muscarinic acetylcholine receptor M2 | 1 |
| 16250647 | 10.1021/jm058018d | Muscarinic acetylcholine receptor M1 | 1 |
| 16250647 | 10.1021/jm058018d | Histamine H1 receptor | 1 |
| 16250647 | 10.1021/jm058018d | Glutamate receptor ionotropic kainate | 1 |
| 16250647 | 10.1021/jm058018d | Glutamate receptor ionotropic AMPA | 1 |
| 16250647 | 10.1021/jm058018d | Adenosine receptor A2a | 1 |
| 16250647 | 10.1021/jm058018d | Sodium- and chloride-dependent GABA transporter 1 | 1 |
| 16250647 | 10.1021/jm058018d | GABA-B receptor | 1 |
| 16250647 | 10.1021/jm058018d | D(1B) dopamine receptor | 1 |
| 16250647 | 10.1021/jm058018d | D(4) dopamine receptor | 1 |
| 16250647 | 10.1021/jm058018d | D(3) dopamine receptor | 1 |
| 16250647 | 10.1021/jm058018d | D(2) dopamine receptor | 1 |
| 16250647 | 10.1021/jm058018d | D(1A) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine