CHEMBL3669435
SMILES | O=C1N(Cc2cccc3c2OCCO3)CCCC12CCN(c1cnc3ccccc3n1)CC2 |
InChIKey | IPMCDCHOUVXMRQ-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 0 |
Rotatable bonds | 3 |
Molecular weight (Da) | 444.2 |
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 | 5.69 | 5.69 | 5.69 | ChEMBL |
OX1 | OX1R | Human | Orexin | A | pKi | 5.87 | 5.87 | 5.87 | ChEMBL |
OX2 | OX2R | Human | Orexin | A | pKd | 6.92 | 6.92 | 6.92 | ChEMBL |
OX2 | OX2R | Human | Orexin | A | pKi | 7.34 | 7.34 | 7.34 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |