SELEGILINE


SMILES C#CCN(C)[C@H](C)Cc1ccccc1
InChIKey MEZLKOACVSPNER-GFCCVEGCSA-N

Chemical properties

Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 4
Molecular weight (Da) 187.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α2B ADA2B Human Adrenoceptors A pKi 6.76 6.76 6.76 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 6.17 6.17 6.17 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 8.21 8.21 8.21 Drug Central
α2B ADA2B Human Adrenoceptors A pKi 8.17 8.17 8.17 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α2B ADA2B Human Adrenoceptors A pIC50 6.42 6.42 6.42 ChEMBL
α2A ADA2A Human Adrenoceptors A pIC50 5.75 5.75 5.75 ChEMBL