ALLYPHENYLINE


SMILES C=CCc1ccccc1OC(C)C1=NCCN1
InChIKey MNMDMCKHXVHLAW-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 230.1

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
α2B ADA2B Human Adrenoceptors A pKi 6.47 6.47 6.47 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 7.07 7.07 7.07 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 7.24 7.24 7.24 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.55 7.55 7.55 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α2C ADA2C Human Adrenoceptors A pEC50 7.3 7.3 7.3 ChEMBL