CHEMBL343786
SMILES | COc1cc2c(cc1OC)CN(C(=O)[C@@H](NCc1ccsc1)C(C)(C)C)CC2 |
InChIKey | QMVDETQCAYXARE-HXUWFJFHSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 6 |
Molecular weight (Da) | 402.2 |
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 | 5.43 | 5.43 | 5.43 | ChEMBL |
OX2 | OX2R | Human | Orexin | A | pIC50 | 7.46 | 7.46 | 7.46 | ChEMBL |