Compound Detail
CHEMBL110165
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Basic Information
| ChEMBL ID | CHEMBL110165 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NYZSNSJFTMYHRW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
273.2
MW (Da)
0.74
ALogP
8
HBA
2
HBD
115.6
PSA (Ų)
0.52
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A3 CHEMBL256 | Ki | 7.6 | 7.6 | 25.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A3 | Ki | = | 25.0 | nM | 7.6 | Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO ... | 16335918 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16335918 | 10.1021/jm0504149 | Adenosine receptor A1 | 2 |
| 16335918 | 10.1021/jm0504149 | Adenosine receptor A2a | 2 |
| 16335918 | 10.1021/jm0504149 | Adenosine receptors; A1 & A3 | 2 |
| 11543685 | 10.1021/jm010862q | Glutamate receptor ionotropic, AMPA | 1 |
| 11543685 | 10.1021/jm010862q | Glutamate NMDA receptor | 1 |
| 16335918 | 10.1021/jm0504149 | Adenosine receptor A3 | 1 |
Data from ChEMBL 36 via Core Engine