CHEMBL3669508
SMILES | Cc1nc(-c2cccc(CN3CCCC4(CCN(c5cnc6ccccc6n5)CC4)C3=O)c2)no1 |
InChIKey | WZSOKZAEGPUOGO-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 0 |
Rotatable bonds | 4 |
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 | pKi | 6.37 | 6.37 | 6.37 | ChEMBL |
OX1 | OX1R | Human | Orexin | A | pKd | 6.01 | 6.01 | 6.01 | ChEMBL |
OX2 | OX2R | Human | Orexin | A | pKi | 7.3 | 7.3 | 7.3 | ChEMBL |
OX2 | OX2R | Human | Orexin | A | pKd | 6.65 | 6.65 | 6.65 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |