relcovaptan


SMILES COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl
InChIKey CEBYCSRFKCEUSW-NAYZPBBASA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 7
Molecular weight (Da) 619.1

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug Yes

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
BLT1 LT4R1 Human Leukotriene A pKi 6.55 6.61 6.66 ChEMBL
BLT1 LT4R1 Human Leukotriene A pKi 7.77 7.77 7.77 Guide to Pharmacology
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
BLT1 LT4R1 Human Leukotriene A pIC50 6.5 7.12 9.0 ChEMBL
BLT1 LT4R1 Human Leukotriene A pIC50 6.1 6.1 6.1 Guide to Pharmacology