apadenoson
SMILES | CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(C#CC[C@@H]1CC[C@H](CC1)C(=O)OC)nc2N |
InChIKey | FLEVIENZILQUKB-XTWQNQIISA-N |
Chemical properties
Hydrogen bond acceptors | 11 |
Hydrogen bond donors | 4 |
Rotatable bonds | 5 |
Molecular weight (Da) | 486.2 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | Yes |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
A1 | AA1R | Human | Adenosine | A | pKi | 7.11 | 7.11 | 7.11 | Guide to Pharmacology |
A2A | AA2AR | Human | Adenosine | A | pKi | 9.3 | 9.3 | 9.3 | Guide to Pharmacology |
A3 | AA3R | Human | Adenosine | A | pKi | 7.35 | 7.35 | 7.35 | Guide to Pharmacology |
A3 | AA3R | Human | Adenosine | A | pKi | 7.35 | 7.35 | 7.35 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 7.11 | 7.11 | 7.11 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pKi | 9.3 | 9.3 | 9.3 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |