TCS 1102


SMILES O=C([C@@H]1CCCN1C(=O)CSc1nc2c(n1C)cccc2)Nc1ccccc1c1ccccc1
InChIKey YSBGRVXJEMSEQY-DEOSSOPVSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 470.2

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 8.52 8.52 8.52 ChEMBL
OX2 OX2R Human Orexin A pKi 9.7 9.7 9.7 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OX1 OX1R Human Orexin A pKB 8.0 8.26 8.52 Guide to Pharmacology
OX2 OX2R Human Orexin A pKB 8.8 9.25 9.7 Guide to Pharmacology