CHEMBL54505
SMILES | Cc1ccc(C(=O)N[C@H]2[C@@H](C)O[C@@H](n3cnc4c(NC5CCCC5)ncnc43)[C@@H]2O)cc1C |
InChIKey | ANEWOVOUCFPRTN-XGFUBRKBSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 3 |
Rotatable bonds | 5 |
Molecular weight (Da) | 450.2 |
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 |
A1 | AA1R | Rat | Adenosine | A | pKi | 6.63 | 6.63 | 6.63 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |