compound 6c [PMID: 34435786]
SMILES | O[C@H]1[C@@H](SC[C@H]1N)n1cnc2c(ncnc12)NC |
InChIKey | MEYWNRDHEXYZIX-VISXPRAWSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 3 |
Rotatable bonds | 2 |
Molecular weight (Da) | 266.1 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
A3 | AA3R | Human | Adenosine | A | pKi | 8.62 | 8.62 | 8.62 | Guide to Pharmacology |
A1 | AA1R | Human | Adenosine | A | pKi | 5.78 | 5.78 | 5.78 | ChEMBL |
A3 | AA3R | Human | Adenosine | A | pKi | 8.62 | 8.62 | 8.62 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
A3 | AA3R | Human | Adenosine | A | pEC50 | 7.95 | 7.95 | 7.95 | ChEMBL |