CHEMBL3672933
SMILES | Cc1nc(OC[C@H]2CN(C(=O)c3ccccc3-n3nccn3)[C@H](C)CS2)ncc1Cl |
InChIKey | CIKWFXRTJZPTKO-UKRRQHHQSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 0 |
Rotatable bonds | 5 |
Molecular weight (Da) | 444.1 |
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 | 7.0 | 7.0 | 7.0 | ChEMBL |
OX2 | OX2R | Human | Orexin | A | pKi | 7.5 | 7.5 | 7.5 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |