CHEMBL3669542
SMILES | O=C1CCCC2(CCN(c3nc4cc(Cl)ccc4o3)CC2)N1Cc1cccc2[nH]ccc12 |
InChIKey | FSQNPAXUADPDOQ-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 1 |
Rotatable bonds | 3 |
Molecular weight (Da) | 448.2 |
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 | 6.18 | 6.18 | 6.18 | ChEMBL |
OX1 | OX1R | Human | Orexin | A | pKd | 5.85 | 5.85 | 5.85 | ChEMBL |
OX2 | OX2R | Human | Orexin | A | pKd | 7.02 | 7.02 | 7.02 | ChEMBL |
OX2 | OX2R | Human | Orexin | A | pKi | 7.96 | 7.96 | 7.96 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |