L748328


SMILES O[C@H](COc1cccc(c1)S(=O)(=O)N)CNCCc1ccc(cc1)NS(=O)(=O)c1ccccc1
InChIKey CVPJSQZQNBKALR-FQEVSTJZSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 4
Rotatable bonds 12
Molecular weight (Da) 505.1

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 7.32 7.65 7.85 ChEMBL
OX2 OX2R Human Orexin A pKi 5.42 5.87 6.2 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 5.92 5.92 5.92 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.17 6.17 6.17 ChEMBL
OX2 OX2R Human Orexin A pKi 5.2 5.47 6.3 Guide to Pharmacology
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 5.4 5.4 5.4 ChEMBL
OX1 OX1R Human Orexin A pKi 7.2 7.47 7.9 Guide to Pharmacology
OX1 OX1R Rat Orexin A pKi 6.84 6.84 6.84 Guide to Pharmacology
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OX1 OX1R Human Orexin A pIC50 4.75 6.39 7.4 ChEMBL
OX2 OX2R Human Orexin A pKB 6.3 6.3 6.3 Guide to Pharmacology
OX1 OX1R Human Orexin A pKB 8.1 8.1 8.1 Guide to Pharmacology