E55888


SMILES CN(CCc1cccc(c1)c1c(C)nn(c1C)C)C
InChIKey MFUWRMRKXKCSPL-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 4
Molecular weight (Da) 257.2

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
V2 V2R Human Vasopressin and oxytocin A pKi 7.3 7.33 7.4 ChEMBL
OT OXYR Human Vasopressin and oxytocin A pKi 6.7 6.77 6.9 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pKi 6.33 6.42 6.46 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
V2 V2R Human Vasopressin and oxytocin A pIC50 7.1 7.1 7.1 Guide to Pharmacology
OT OXYR Rat Vasopressin and oxytocin A pIC50 7.26 7.26 7.26 ChEMBL
V2 V2R Human Vasopressin and oxytocin A pIC50 7.09 7.09 7.1 ChEMBL
V2 V2R Human Vasopressin and oxytocin A pEC50 7.4 8.56 9.15 ChEMBL
OT OXYR Human Vasopressin and oxytocin A pIC50 6.45 6.45 6.45 ChEMBL
OT OXYR Human Vasopressin and oxytocin A pEC50 6.9 6.9 6.9 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pIC50 5.78 6.0 6.11 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pEC50 6.33 6.33 6.33 ChEMBL