Compound Detail
CHEMBL2030685
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Basic Information
| ChEMBL ID | CHEMBL2030685 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YNSVRVIBICMHME-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
382.4
MW (Da)
1.86
ALogP
4
HBA
2
HBD
95.9
PSA (Ų)
0.76
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.53
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A2a CHEMBL251 | Ki | 5.53 | 5.53 | 2951.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A2a | Ki | = | 2951.21 | nM | 5.53 | Displacement of [3H]ZM241385 from human A2A receptor expressed in HEK293 cells a... | 22250781 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22250781 | 10.1021/jm201455y | Adenosine receptor A2a | 1 |
Data from ChEMBL 36 via Core Engine