CHEMBL2413106
SMILES | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCCCCCCCCNS(=O)(=O)c4cccc5c(N(C)C)cccc45)ncnc32)[C@H](C)[C@@H]1C |
InChIKey | SZFIADCESWNCDQ-PASRKNOOSA-N |
Chemical properties
Hydrogen bond acceptors | 10 |
Hydrogen bond donors | 3 |
Rotatable bonds | 16 |
Molecular weight (Da) | 664.4 |
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 |
A3 | AA3R | Rat | Adenosine | A | pKi | 6.59 | 6.59 | 6.59 | ChEMBL |
A1 | AA1R | Rat | Adenosine | A | pKi | 6.95 | 6.95 | 6.95 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
A1 | AA1R | Human | Adenosine | A | pIC50 | 5.95 | 5.95 | 5.95 | ChEMBL |