CHEMBL3634027
SMILES | Cc1cc2c(cn1)[C@@H](NC(=O)COc1cc(C)c3c(C4CC4)nn(C)c3n1)CC2 |
InChIKey | WSMBSTCBCDWSLS-KRWDZBQOSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 1 |
Rotatable bonds | 5 |
Molecular weight (Da) | 391.2 |
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 |
OX1 | OX1R | Human | Orexin | A | pKi | 6.11 | 6.11 | 6.11 | ChEMBL |
OX2 | OX2R | Human | Orexin | A | pKi | 7.03 | 7.03 | 7.03 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |