CHEMBL3890720
SMILES | Cc1ccc(-c2ncccn2)c(C(=O)N2CCOC2Cn2cc(-c3ccc(F)cc3)cn2)c1 |
InChIKey | CTNMMUBGLRNOPX-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 0 |
Rotatable bonds | 5 |
Molecular weight (Da) | 443.2 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
OX1 | OX1R | Human | Orexin | A | pIC50 | 7.46 | 7.46 | 7.46 | ChEMBL |
OX2 | OX2R | Human | Orexin | A | pIC50 | 7.57 | 7.57 | 7.57 | ChEMBL |