CHEMBL289413
SMILES | CCCn1c(=O)c2[nH]c(-c3ccccc3)cc2n(CCC)c1=O |
InChIKey | UBJAFKSHHKGNMT-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 1 |
Rotatable bonds | 5 |
Molecular weight (Da) | 311.2 |
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 | 7.89 | 7.89 | 7.89 | ChEMBL |
A3 | AA3R | Human | Adenosine | A | pKi | 7.02 | 7.02 | 7.02 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pKi | 6.19 | 6.19 | 6.19 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 7.47 | 7.47 | 7.47 | ChEMBL |
A2B | AA2BR | Human | Adenosine | A | pKi | 6.64 | 6.64 | 6.64 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |