T13


SMILES CCCCCCCC/C=C\CCCCCCCC(=O)O[C@@H]1COCC[C@@H]1OP(=O)(S[Na])O
InChIKey DFEVXZSENXLXQQ-LYOQJJATSA-M

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 19
Molecular weight (Da) 500.2

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 8.21 8.21 8.21 ChEMBL
OX2 OX2R Human Orexin A pKi 9.33 9.33 9.33 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OX1 OX1R Human Orexin A pIC50 7.58 7.58 7.58 ChEMBL
OX2 OX2R Human Orexin A pIC50 7.75 7.75 7.75 ChEMBL