CYCLOMETHYLINE


SMILES CC(Oc1ccccc1CC1CC1)C1=NCCN1
InChIKey SEKAQUSPSDPIAN-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 244.2

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 6.39 6.39 6.39 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 6.56 6.56 6.56 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 7.44 7.44 7.44 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.98 7.98 7.98 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α2B ADA2B Human Adrenoceptors A pEC50 5.48 5.48 5.48 ChEMBL
α2C ADA2C Human Adrenoceptors A pEC50 8.7 8.7 8.7 ChEMBL