CHEMBL2031494
SMILES | O=C(NC[C@@H]1C[C@H](O)CCN1C(=O)c1ccccc1-c1ccccc1)c1cccc2cccnc12 |
InChIKey | AJFSMUYBHCAWKT-XZOQPEGZSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 2 |
Rotatable bonds | 5 |
Molecular weight (Da) | 465.2 |
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 |
OX1 | OX1R | Human | Orexin | A | pIC50 | 7.4 | 7.4 | 7.4 | ChEMBL |
OX2 | OX2R | Human | Orexin | A | pIC50 | 7.21 | 7.21 | 7.21 | ChEMBL |