CHEMBL273671
SMILES | CCCn1c(=O)c2nc(-c3ccc(Cl)cc3N)[nH]c2n(CCC)c1=O |
InChIKey | SENJBFBVCXOUFE-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 2 |
Rotatable bonds | 5 |
Molecular weight (Da) | 361.1 |
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 | 6.0 | 6.0 | 6.0 | ChEMBL |
A1 | AA1R | Bovine | Adenosine | A | pKi | 10.66 | 10.66 | 10.66 | ChEMBL |
A1 | AA1R | Rat | Adenosine | A | pKi | 8.32 | 8.53 | 8.6 | ChEMBL |
A1 | AA1R | Rat | Adenosine | A | pKi | 8.17 | 8.17 | 8.17 | PDSP Ki database |
A1 | AA1R | Bovine | Adenosine | A | pKi | 9.52 | 9.52 | 9.52 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
A1 | AA1R | Bovine | Adenosine | A | pIC50 | 10.3 | 10.3 | 10.3 | ChEMBL |