CHEMBL3093318
SMILES | C#CCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(OC)cc2)n(C)c1=O |
InChIKey | POSAETBGNVHIOB-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 0 |
Rotatable bonds | 5 |
Molecular weight (Da) | 393.2 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
A1 | AA1R | Rat | Adenosine | A | pKi | 5.5 | 5.5 | 5.5 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pKi | 6.29 | 6.29 | 6.29 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 5.36 | 5.36 | 5.36 | ChEMBL |
A2A | AA2AR | Rat | Adenosine | A | pKi | 6.54 | 6.54 | 6.54 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |