CHEMBL1688378
SMILES | CCCCC#Cc1nc(N)c2ncn([C@@H]3SC[C@@H](O)[C@H]3O)c2n1 |
InChIKey | VQABXXYIDMPKKB-DDHOLCJHSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 3 |
Rotatable bonds | 3 |
Molecular weight (Da) | 333.1 |
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 | Human | Adenosine | A | pKi | 8.14 | 8.14 | 8.14 | ChEMBL |
A3 | AA3R | Human | Adenosine | A | pKi | 7.93 | 7.93 | 7.93 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
A2A | AA2AR | Human | Adenosine | A | pEC50 | 7.92 | 7.92 | 7.92 | ChEMBL |
A2B | AA2BR | Human | Adenosine | A | pEC50 | 5.0 | 5.0 | 5.0 | ChEMBL |