ACT-335827


SMILES COc1cc(ccc1OC)C[C@H]1c2cc(OC)c(cc2CCN1[C@H](c1ccccc1)C(=O)NC(C)C)OC
InChIKey HXHOBPVRRPCTLG-SETSBSEESA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 10
Molecular weight (Da) 518.3

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
OX1 OX1R Human Orexin A pKi 8.22 8.22 8.22 ChEMBL
OX2 OX2R Human Orexin A pKi 6.38 6.38 6.38 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OX1 OX1R Human Orexin A pKB 7.4 7.4 7.4 Guide to Pharmacology
OX2 OX2R Human Orexin A pKB 6.3 6.3 6.3 Guide to Pharmacology
OX1 OX1R Human Orexin A pIC50 8.22 8.22 8.22 ChEMBL
OX2 OX2R Human Orexin A pIC50 6.38 6.38 6.38 ChEMBL