Compound Detail
CHEMBL399414
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 | CHEMBL399414 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZGQIYAQWSSKRDG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
355.4
MW (Da)
0.85
ALogP
8
HBA
0
HBD
74.3
PSA (Ų)
0.70
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A2a CHEMBL302 | Ki | 5.26 | 5.26 | 5490.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A2a | Ki | = | 5490.0 | nM | 5.26 | Displacement of [3H]MSX2 from adenosine A2A receptor in rat striatal membrane | 17499511 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17499511 | 10.1016/j.bmc.2007.04.018 | Adenosine receptor A1 | 2 |
| 17499511 | 10.1016/j.bmc.2007.04.018 | Adenosine receptor A2a | 2 |
Data from ChEMBL 36 via Core Engine