CHEMBL3133082
SMILES | CNC(=O)[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(N(C)C)nc32)[C@H](O)[C@@H]1O |
InChIKey | PSGHMUQNICYTNJ-PFHKOEEOSA-N |
Chemical properties
Hydrogen bond acceptors | 10 |
Hydrogen bond donors | 4 |
Rotatable bonds | 5 |
Molecular weight (Da) | 405.2 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
A3 | AA3R | Human | Adenosine | A | pEC50 | 6.2 | 6.2 | 6.2 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pEC50 | 5.3 | 5.3 | 5.3 | ChEMBL |