CHEMBL3669494
SMILES | N=CC(CN1CCCC2(CCN(c3cnc4ccccc4n3)CC2)C1=O)c1ccccn1 |
InChIKey | YCVAVQDQVKADCD-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 1 |
Rotatable bonds | 5 |
Molecular weight (Da) | 428.2 |
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 | 5.67 | 5.67 | 5.67 | ChEMBL |
OX2 | OX2R | Human | Orexin | A | pKi | 6.63 | 6.63 | 6.63 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |