Compound Detail
CHEMBL177943
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Basic Information
| ChEMBL ID | CHEMBL177943 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NBWTZSVKJSJXTR-CQSZACIVSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
426.4
MW (Da)
2.72
ALogP
9
HBA
2
HBD
110.4
PSA (Ų)
0.48
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A2a CHEMBL302 | Ki | 7.85 | 7.85 | 14.0 | 1 |
| Adenosine receptor A1 CHEMBL318 | Ki | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A2a | Ki | = | 14.0 | nM | 7.85 | Inhibition of [3H]ZM-241385 binding to adenosine A2a receptor of rat brain tissu... | 15771443 |
| Adenosine receptor A1 | Ki | = | 1000.0 | nM | 6.0 | Inhibition of [3H]DPCPX binding to adenosine A1 receptor of rat cerebral cortex | 15771443 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15771443 | 10.1021/jm0498396 | Adenosine receptor A2a | 1 |
| 15771443 | 10.1021/jm0498396 | Adenosine receptor A1 | 1 |
Data from ChEMBL 36 via Core Engine