CHEMBL3665682
SMILES | Cc1ccc(-c2nn(C)c3nc(OCC(=O)N[C@@H](C)c4ccccc4)cc(C(F)(F)F)c23)cc1 |
InChIKey | CZEJKCUFZXWAKR-INIZCTEOSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 6 |
Molecular weight (Da) | 468.2 |
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 | pKd | 6.31 | 6.31 | 6.31 | ChEMBL |
OX2 | OX2R | Human | Orexin | A | pKd | 6.67 | 6.67 | 6.67 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |