CHEMBL4794726
SMILES | CCOc1ccccc1C(=O)N1C[C@H](c2nc(C(C)(C)O)c(C)o2)CC[C@H]1C |
InChIKey | SKJTYOPFRSHHKZ-GDBMZVCRSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 5 |
Molecular weight (Da) | 386.2 |
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 | 5.58 | 5.58 | 5.58 | ChEMBL |
OX2 | OX2R | Human | Orexin | A | pIC50 | 7.92 | 7.92 | 7.92 | ChEMBL |