Compound Detail
CHEMBL260052
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COc1ccc(N2CCN(C(=O)COc3ccc(-c4cc5c([nH]4)c(=O)n(C)c(=O)n5C)c(OC)c3)CC2)cc1
Basic Information
| ChEMBL ID | CHEMBL260052 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RMBFDMIXDXPOOI-UHFFFAOYSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
533.6
MW (Da)
1.98
ALogP
9
HBA
1
HBD
111.0
PSA (Ų)
0.39
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18226909 | 10.1016/j.bmc.2008.01.002 | Adenosine receptor A1 | 1 |
| 18226909 | 10.1016/j.bmc.2008.01.002 | Adenosine receptor A3 | 1 |
| 18226909 | 10.1016/j.bmc.2008.01.002 | Adenosine receptor A2b | 1 |
| 18226909 | 10.1016/j.bmc.2008.01.002 | Adenosine receptor A2a | 1 |
Data from ChEMBL 36 via Core Engine