Nag 26


SMILES COc1ccc(cc1S(=O)(=O)Nc1cccc(c1)NCCNC(=O)c1cccc(c1)C)c1cccc(c1)C(=O)N(C)C
InChIKey RHLMXWCISNJNDH-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 11
Molecular weight (Da) 586.2

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 6.85 6.85 6.85 ChEMBL
OX2 OX2R Human Orexin A pKi 6.11 6.11 6.11 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OX1 OX1R Human Orexin A pEC50 5.3 6.0 6.7 Guide to Pharmacology
OX2 OX2R Human Orexin A pEC50 5.2 6.5 7.8 Guide to Pharmacology
OX1 OX1R Human Orexin A pEC50 5.79 6.14 6.49 ChEMBL
OX2 OX2R Human Orexin A pEC50 7.25 7.45 7.64 ChEMBL