CHEMBL3394258
SMILES | CCCN(CCCNC(=O)CCCCCCCNC(=O)CCCOc1ccc(CCNc2nc(N)n3nc(-c4ccco4)nc3n2)cc1)CCc1cccc2c1CC(=O)N2 |
InChIKey | GRNZJJOLZMFJHZ-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 13 |
Hydrogen bond donors | 5 |
Rotatable bonds | 27 |
Molecular weight (Da) | 821.5 |
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 |
A2A | AA2AR | Human | Adenosine | A | pIC50 | 7.39 | 7.39 | 7.39 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pEC50 | 6.3 | 6.3 | 6.3 | ChEMBL |