HTL6641
SMILES | COc1cc(cnc1OC)N1S(=O)(=O)c2c(N(C1=O)Cc1c(cc(cc1F)F)F)nccc2 |
InChIKey | SUQZCEUKWPKXEE-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 0 |
Rotatable bonds | 5 |
Molecular weight (Da) | 480.1 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Database connections
Structure pdb | 6TPN |
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
OX1 | OX1R | Human | Orexin | A | pKi | 7.6 | 7.6 | 7.6 | Guide to Pharmacology |
OX2 | OX2R | Human | Orexin | A | pKi | 8.45 | 8.45 | 8.45 | Guide to Pharmacology |
OX2 | OX2R | Human | Orexin | A | pKi | 8.3 | 8.45 | 8.6 | ChEMBL |
OX1 | OX1R | Human | Orexin | A | pKi | 7.5 | 7.6 | 7.7 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |