retosiban


SMILES CC[C@@H]([C@@H]1C(=O)N[C@@H](C(=O)N1[C@@H](C(=O)N1CCOCC1)c1coc(n1)C)C1Cc2c(C1)cccc2)C
InChIKey PLVGDGRBPMVYPB-FDUHJNRSSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 494.3

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug Yes

Database connections

Structure pdb 6TPK

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
V2 V2R Human Vasopressin and oxytocin A pKi 6.02 6.02 6.02 ChEMBL
OT OXYR Human Vasopressin and oxytocin A pKi 8.39 8.95 9.2 ChEMBL
OT OXYR Human Vasopressin and oxytocin A pKi 9.0 9.09 9.19 Guide to Pharmacology
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database