CHEMBL3978561
SMILES | CCOc1ncccc1-c1nc([C@@H]2CCN2C(=O)c2cc(OC)c(Cl)cc2-n2nccn2)no1 |
InChIKey | MWJLXCJLYMSCEX-INIZCTEOSA-N |
Chemical properties
Hydrogen bond acceptors | 10 |
Hydrogen bond donors | 0 |
Rotatable bonds | 7 |
Molecular weight (Da) | 481.1 |
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 | 7.08 | 7.08 | 7.08 | ChEMBL |
OX2 | OX2R | Human | Orexin | A | pIC50 | 9.0 | 9.0 | 9.0 | ChEMBL |