CHEMBL3667561
SMILES | CSc1cccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Br)cc2)c1 |
InChIKey | ABBWCZLJPRXWMF-KRWDZBQOSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 1 |
Rotatable bonds | 5 |
Molecular weight (Da) | 454.0 |
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 |
OX2 | OX2R | Human | Orexin | A | pIC50 | 8.0 | 8.0 | 8.0 | ChEMBL |
OX1 | OX1R | Human | Orexin | A | pIC50 | 7.66 | 7.66 | 7.66 | ChEMBL |