retosiban [6755]



retosiban


SMILES CC[C@H](C)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N1CCOCC1)c1coc(C)n1
InChIKey PLVGDGRBPMVYPB-FDUHJNRSSA-N

Chemical Properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 6
Log P 2.040
Molecular weight (Da) 494.3
Stereochemistry info partial

Database connections

Structure pdb 6TPK
GPCRdb related ligands

Bioactivities

Receptor Activity Source
Protein Gene Species Family Class Type Min Avg Max Database
Receptor Activity Source
Protein Gene Species Family Class Type Min Avg Max Database

retosiban


Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Distribution across phases (no. indications)

Phase I 0
Phase II 0
Phase III 0
Phase IV 0

Database connections

Structure pdb 6TPK

Compound is not listed as a drug.