CHEMBL3234961
SMILES | N#Cc1c(N)nc(SCc2csc(-c3ccc([N+](=O)[O-])cc3)n2)nc1-c1ccc2c(c1)OCO2 |
InChIKey | QPOVLBGWODYSTH-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 11 |
Hydrogen bond donors | 1 |
Rotatable bonds | 6 |
Molecular weight (Da) | 490.1 |
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 |
A1 | AA1R | Human | Adenosine | A | pKi | 7.96 | 7.96 | 7.96 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |