Compound Detail
CHEMBL181062
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
CCCn1c(=O)c2nc(-c3ccc(OCc4noc(-c5ccc(Cl)cc5)n4)cc3)[nH]c2n(CCC)c1=O
Basic Information
| ChEMBL ID | CHEMBL181062 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ACBRNVRYVJLTKA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
521.0
MW (Da)
4.66
ALogP
9
HBA
1
HBD
120.8
PSA (Ų)
0.30
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A2b CHEMBL255 | Ki | 5.44 | 5.44 | 3660.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A2b | Ki | = | 3660.0 | nM | 5.44 | Binding affinity for adenosine A2b receptor by using as [3H]ZM-241385 (14 nM) ra... | 15664822 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15664822 | 10.1016/j.bmcl.2004.11.044 | Adenosine receptor A2b | 1 |
Data from ChEMBL 36 via Core Engine