Compound Detail
CHEMBL4212260
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
Cn1c(=O)n(CCN2CCN(c3ccc(C(F)(F)F)cc3)CC2)c2nc(N)n3nc(-c4ccco4)nc3c21
Basic Information
| ChEMBL ID | CHEMBL4212260 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KTZXOBJQPKFGGC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
527.5
MW (Da)
2.46
ALogP
11
HBA
1
HBD
115.7
PSA (Ų)
0.37
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A2a CHEMBL251 | Ki | 8.51 | 8.51 | 3.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A2a | Ki | = | 3.1 | nM | 8.51 | Displacement of [3H]ZM241385 from human A2A receptor expressed in HEK293 cell me... | 28835798 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28835798 | 10.1021/acsmedchemlett.7b00175 | Adenosine receptor A2a | 3 |
| 28835798 | 10.1021/acsmedchemlett.7b00175 | ADMET | 2 |
| 28835798 | 10.1021/acsmedchemlett.7b00175 | Adenosine receptor A1 | 1 |
Data from ChEMBL 36 via Core Engine