compound 1 [PMID: 33547286]


SMILES COc1ccc(cc1S(=O)(=O)Nc1cccc(c1)CCNC(=O)c1ccccc1n1nccn1)c1cccc(c1)C(=O)N(C)C
InChIKey AMTAVIZAVFJXIJ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 11
Molecular weight (Da) 624.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Structure pdb 7L1V

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 4.45 4.45 4.45 Guide to Pharmacology
OX2 OX2R Human Orexin A pEC50 8.28 8.28 8.28 Guide to Pharmacology
OX2 OX2R Human Orexin A pEC50 8.28 8.28 8.28 ChEMBL