GS39783
SMILES | CSc1nc(NC2CCCC2)c(c(n1)NC1CCCC1)[N+](=O)[O-] |
InChIKey | GSGVDKOCBKBMGG-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 2 |
Rotatable bonds | 6 |
Molecular weight (Da) | 337.2 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
A2B | AA2BR | Human | Adenosine | A | pKi | 7.55 | 7.55 | 7.55 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pKi | 7.46 | 7.46 | 7.46 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 6.54 | 6.54 | 6.54 | ChEMBL |
A3 | AA3R | Human | Adenosine | A | pKi | 6.21 | 6.21 | 6.21 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |