CHEMBL239847
SMILES | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](CCN3CCN(c4ccc(Br)cc4OC)CC3)CC2)cc1 |
InChIKey | OWSHDISQJVVMQC-AQYVVDRMSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 1 |
Rotatable bonds | 9 |
Molecular weight (Da) | 565.2 |
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 |
D3 | DRD3 | Rat | Dopamine | A | pIC50 | 9.3 | 9.3 | 9.3 | ChEMBL |
D2 | DRD2 | Rat | Dopamine | A | pIC50 | 7.55 | 7.55 | 7.55 | ChEMBL |