SEMUSTINE


SMILES CC1CCC(NC(=O)N(CCCl)N=O)CC1
InChIKey FVLVBPDQNARYJU-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 247.1

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
α2A ADA2A Human Adrenoceptors A pKi 5.74 5.74 5.74 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 8.24 8.24 8.24 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α2A ADA2A Human Adrenoceptors A pIC50 5.32 5.32 5.32 ChEMBL