BREOGANINE
SMILES | COc1cc2c(cc1O)C[C@H]1c3c(ccc(O)c3O2)CCN1C |
InChIKey | NEQWPVBUZDJIHK-LBPRGKRZSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 2 |
Rotatable bonds | 1 |
Molecular weight (Da) | 313.1 |
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 |
D1 | DRD1 | Rat | Dopamine | A | pIC50 | 7.0 | 7.0 | 7.0 | ChEMBL |
D2 | DRD2 | Rat | Dopamine | A | pIC50 | 6.7 | 6.7 | 6.7 | ChEMBL |