CHEMBL158507
SMILES | CCCn1c(=O)c2nc(-c3ccccc3)[nH]c2n(CCC)c1=O |
InChIKey | CLIGSMOZKDCDRZ-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 5 |
Molecular weight (Da) | 312.2 |
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 |
A2A | AA2AR | Guinea pig | Adenosine | A | pKi | 6.52 | 6.52 | 6.52 | ChEMBL |
A2A | AA2AR | Rat | Adenosine | A | pKi | 6.72 | 6.79 | 6.85 | ChEMBL |
A1 | AA1R | Rat | Adenosine | A | pKi | 7.89 | 8.08 | 8.56 | ChEMBL |
A2B | AA2BR | Human | Adenosine | A | pKi | 7.72 | 7.72 | 7.72 | ChEMBL |
A1 | AA1R | Rat | Adenosine | A | pKi | 7.99 | 7.99 | 7.99 | PDSP Ki database |
A2A | AA2AR | Human | Adenosine | A | pKi | 5.68 | 5.68 | 5.68 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
A1 | AA1R | Bovine | Adenosine | A | pIC50 | 9.15 | 9.15 | 9.15 | ChEMBL |