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
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
V1A V1AR Human Vasopressin and oxytocin A pKi 7.0 7.0 7.0 Guide to Pharmacology
V1B V1BR Human Vasopressin and oxytocin A pKi 8.4 8.85 9.3 Guide to Pharmacology
OT OXYR Human Vasopressin and oxytocin A pKi 6.8 7.8 8.8 Guide to Pharmacology
V2 V2R Human Vasopressin and oxytocin A pKi 6.49 6.51 6.54 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pKi 7.03 7.4 7.66 ChEMBL
V1B V1BR Human Vasopressin and oxytocin A pKi 7.23 8.61 9.22 ChEMBL
V2 V2R Human Vasopressin and oxytocin A pKi 5.9 5.9 5.9 Guide to Pharmacology
OT OXYR Human Vasopressin and oxytocin A pKi 7.6 7.96 8.82 ChEMBL
V1B V1BR Rat Vasopressin and oxytocin A pKi 9.0 9.0 9.0 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database