CHEMBL16724
SMILES | C=CCn1c(=O)c2nc(-c3ccc(OCC(=O)O)cc3)[nH]c2n(CC=C)c1=O |
InChIKey | CZKQVHBXRSZWAF-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 2 |
Rotatable bonds | 8 |
Molecular weight (Da) | 382.1 |
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 | Rat | Adenosine | A | pKi | 5.37 | 5.37 | 5.37 | ChEMBL |
A1 | AA1R | Rat | Adenosine | A | pKi | 6.12 | 6.12 | 6.12 | ChEMBL |
A3 | AA3R | Human | Adenosine | A | pKi | 6.09 | 6.09 | 6.09 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 5.78 | 5.78 | 5.78 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pKi | 5.62 | 5.62 | 5.62 | ChEMBL |
A2B | AA2BR | Human | Adenosine | A | pKi | 6.85 | 6.85 | 6.85 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |