nelivaptan


SMILES COc1cc(OC)ccc1S(=O)(=O)N1c2ccc(cc2[C@@](C1=O)(N1C[C@@H](C[C@H]1C(=O)N(C)C)O)c1ccccc1OC)Cl
InChIKey NJXZWIIMWNEOGJ-WEWKHQNJSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 629.2

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
DP1 PD2R Human Prostanoid A pKi 9.0 9.15 9.3 Guide to Pharmacology
DP1 PD2R Rat Prostanoid A pKi 6.8 6.8 6.8 Guide to Pharmacology
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database