CHEMBL16931
SMILES | CCCn1c(=O)c2nc(-c3ccc(OCC(=O)Nc4ccc(C(=O)O)cc4)cc3)[nH]c2n(CCC)c1=O |
InChIKey | TVQXEDLVTCLFMN-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 3 |
Rotatable bonds | 10 |
Molecular weight (Da) | 505.2 |
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 | 7.79 | 7.79 | 7.79 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 6.79 | 6.79 | 6.79 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pKi | 7.41 | 7.41 | 7.41 | ChEMBL |
A1 | AA1R | Rat | Adenosine | A | pKi | 6.84 | 6.84 | 6.84 | ChEMBL |
A2A | AA2AR | Rat | Adenosine | A | pKi | 6.66 | 6.66 | 6.66 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |