CHEMBL466021
SMILES | CCCn1c(=O)c2[nH]c(-c3ccc(COC(=O)Nc4ccccc4)cc3)cc2n(CCC)c1=O |
InChIKey | DUUGGDGHFBNLHS-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 2 |
Rotatable bonds | 8 |
Molecular weight (Da) | 460.2 |
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 |
A2B | AA2BR | Human | Adenosine | A | pKi | 8.15 | 8.15 | 8.15 | ChEMBL |
A3 | AA3R | Human | Adenosine | A | pKi | 6.48 | 6.48 | 6.48 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pKi | 7.54 | 7.54 | 7.54 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 7.69 | 7.69 | 7.69 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |