CHEMBL81336
SMILES | Cc1nc2nc(-c3ccccc3)[nH]c(N[C@H](C)c3ccccc3)c-2c1C |
InChIKey | UEHRRIBODAEUFE-MRXNPFEDSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 2 |
Rotatable bonds | 4 |
Molecular weight (Da) | 342.2 |
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 |
A1 | AA1R | Rat | Adenosine | A | pKi | 8.17 | 8.17 | 8.17 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 6.01 | 6.01 | 6.01 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
A2A | AA2AR | Human | Adenosine | A | pIC50 | 5.41 | 5.41 | 5.41 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pIC50 | 5.7 | 5.75 | 5.79 | ChEMBL |