JH112


SMILES CC[C@@H]([C@H]1CN(CCCN1C(=O)c1cc(C)ccc1n1nccn1)c1oc2c(n1)cc(cc2)Cl)C
InChIKey CRLKYMWQHWKXAE-FDDCHVKYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 5
Molecular weight (Da) 492.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Structure pdb 6V9S

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OX1 OX1R Human Orexin A pKi 9.14 9.14 9.14 Guide to Pharmacology
OX2 OX2R Human Orexin A pKi 7.27 7.27 7.27 Guide to Pharmacology
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database