CHEMBL1911941
SMILES | COc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)Nc2ccccc2)CC3F)cc1 |
InChIKey | BPXDRPKLRNEUEM-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 4 |
Molecular weight (Da) | 449.1 |
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 |
OX1 | OX1R | Human | Orexin | A | pIC50 | 5.8 | 5.8 | 5.8 | ChEMBL |
OX2 | OX2R | Human | Orexin | A | pIC50 | 7.06 | 7.06 | 7.06 | ChEMBL |