Compound Detail
CHEMBL318483
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
Nc1nc(-n2cc(-c3ccc(Cl)cc3)cn2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL318483 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RCZJMXUMKREDMI-SCFUHWHPSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
443.9
MW (Da)
0.53
ALogP
11
HBA
4
HBD
157.4
PSA (Ų)
0.35
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A2a CHEMBL302 | Ki | 6.41 | 6.41 | 390.0 | 1 |
| Adenosine receptor A2a CHEMBL251 | Ki | 5.95 | 5.95 | 1120.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A2a | Ki | = | 390.0 | nM | 6.41 | Receptor binding affinity for the adenosine A2A receptor was determined using [3... | 12270178 |
| Adenosine receptor A2a | Ki | = | 1120.0 | nM | 5.95 | Receptor binding affinity for the adenosine A2A receptor were determined using [... | 12270178 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12270178 | 10.1016/s0960-894x(02)00609-1 | Adenosine receptor A2a | 2 |
Data from ChEMBL 36 via Core Engine