CHEMBL3663566
SMILES | Cc1cccc(C(=O)N2C3CCC2C(Nc2ncc(C(F)(F)F)cn2)C3)c1-c1ncco1 |
InChIKey | XVSXZCHOLSOOKA-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 1 |
Rotatable bonds | 4 |
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 |
OX1 | OX1R | Rat | Orexin | A | pKi | 7.85 | 7.85 | 7.85 | ChEMBL |
OX1 | OX1R | Human | Orexin | A | pKi | 8.05 | 8.05 | 8.05 | ChEMBL |
OX2 | OX2R | Human | Orexin | A | pKi | 6.38 | 6.38 | 6.38 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |