CHEMBL591999
SMILES | CCCCC#Cc1nc(N)c2ncn([C@@H]3C[C@H](NC(=O)CC)[C@@H](O)[C@H]3O)c2n1 |
InChIKey | MOWBUOOHZBNNQZ-SONRMIBWSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 4 |
Rotatable bonds | 5 |
Molecular weight (Da) | 386.2 |
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 |
A2A | AA2AR | Human | Adenosine | A | pKi | 7.75 | 7.75 | 7.75 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
A3 | AA3R | Human | Adenosine | A | pEC50 | 6.98 | 6.98 | 6.98 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pIC50 | 7.92 | 7.92 | 7.92 | ChEMBL |