CHEMBL17202
SMILES | CCCn1c(=O)c2nc(-c3ccc(/C=C/C(=O)Nc4ccccc4C(C)=O)cc3)[nH]c2n(CCC)c1=O |
InChIKey | AAYAXEYKWMOSAT-NTCAYCPXSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 2 |
Rotatable bonds | 9 |
Molecular weight (Da) | 499.2 |
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 |
A3 | AA3R | Human | Adenosine | A | pKi | 6.92 | 6.92 | 6.92 | ChEMBL |
A2B | AA2BR | Human | Adenosine | A | pKi | 8.44 | 8.44 | 8.44 | ChEMBL |
A1 | AA1R | Rat | Adenosine | A | pKi | 8.12 | 8.12 | 8.12 | ChEMBL |
A2A | AA2AR | Rat | Adenosine | A | pKi | 6.84 | 6.84 | 6.84 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |