L742791
SMILES | O[C@H](COc1ccc(cc1)O)CNCCc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)I |
InChIKey | ZNTDIRUBXSTBGJ-NRFANRHFSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 4 |
Rotatable bonds | 11 |
Molecular weight (Da) | 568.1 |
Drug properties
Molecular type | Small molecule |
Endogenous/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 | 8.06 | 8.06 | 8.06 | ChEMBL |
OX1 | OX1R | Human | Orexin | A | pKd | 8.35 | 8.35 | 8.35 | ChEMBL |
OX2 | OX2R | Human | Orexin | A | pKi | 6.3 | 6.3 | 6.3 | ChEMBL |
OX1 | OX1R | Human | Orexin | A | pKi | 7.7 | 7.7 | 7.7 | Guide to Pharmacology |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |