RTOXA-43


SMILES O=S(C1=CC(C2=CC(C(N(C)CC3=CN=CC=C3)=O)=CC=C2)=CC=C1OC)(NC4=CC=CC(NCCNC(C5=CC(C)=CC=C5)=O)=C4)=O
InChIKey RCIRUDLVTXPQQZ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 13
Molecular weight (Da) 663.3

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 pEC50 7.62 7.62 7.62 Guide to Pharmacology
OX2 OX2R Human Orexin A pEC50 7.62 7.62 7.62 Guide to Pharmacology
OX1 OX1R Human Orexin A pEC50 6.34 6.34 6.34 ChEMBL
OX2 OX2R Human Orexin A pEC50 6.87 6.87 6.87 ChEMBL