CHEMBL1096887
SMILES | O=C(NCCNC(=O)c1nc(NCC(c2ccccc2)c2ccccc2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1)NCCN1CCCCC1 |
InChIKey | VXPZAYJMFOBPQZ-ZLXUNRMYSA-N |
Chemical properties
Hydrogen bond acceptors | 12 |
Hydrogen bond donors | 7 |
Rotatable bonds | 14 |
Molecular weight (Da) | 687.3 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
A2A | AA2AR | Human | Adenosine | A | pIC50 | 7.35 | 7.35 | 7.35 | ChEMBL |