SSR126768A


SMILES CCN(C(=O)c1ccc(c(c1)[C@@]1(C)c2cc(Cl)ccc2N(C1=O)Cc1ccc(cc1OC)OC)Cl)Cc1cccnc1
InChIKey UENRBNCNIZQNTR-XIFFEERXSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 9
Molecular weight (Da) 603.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
V1A V1AR Human Vasopressin and oxytocin A pKi 6.8 6.8 6.8 Guide to Pharmacology
OT OXYR Human Vasopressin and oxytocin A pKi 8.82 8.93 9.05 Guide to Pharmacology
V1B V1BR Rat Vasopressin and oxytocin A pKi 7.34 7.34 7.34 ChEMBL
V1A V1AR Rat Vasopressin and oxytocin A pKi 7.0 7.0 7.0 ChEMBL
OT OXYR Rat Vasopressin and oxytocin A pKi 8.8 8.8 8.8 ChEMBL
OT OXYR Rat Vasopressin and oxytocin A pKd 8.47 8.47 8.47 ChEMBL
OT OXYR Human Vasopressin and oxytocin A pKi 9.3 9.3 9.3 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pKi 6.84 6.84 6.84 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database