CHEMBL3669546
SMILES | Cc1ccc2oc(N3CCC4(CCCC(=O)N4Cc4cccc5[nH]ccc45)CC3)nc2c1 |
InChIKey | KCMMYXVXOINAMH-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 1 |
Rotatable bonds | 3 |
Molecular weight (Da) | 428.2 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Sankey plot
Compound is not listed as a drug.
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
OX1 | OX1R | Human | Orexin | A | pKd | 5.8 | 5.8 | 5.8 | ChEMBL |
OX1 | OX1R | Human | Orexin | A | pKi | 6.18 | 6.18 | 6.18 | ChEMBL |
OX2 | OX2R | Human | Orexin | A | pKd | 6.42 | 6.42 | 6.42 | ChEMBL |
OX2 | OX2R | Human | Orexin | A | pKi | 7.09 | 7.09 | 7.09 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |