mescaline


SMILES COC1=CC(=CC(=C1OC)OC)CCN
InChIKey RHCSKNNOAZULRK-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 211.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Structure pdb 9AS6 9AS5
Ligand site mutations 5-HT2A

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT2C 5HT2C Rat 5-Hydroxytryptamine A pKi 6.42 6.42 6.42 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 5.16 5.16 5.16 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.52 6.52 6.52 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.26 6.26 6.26 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 6.1 6.1 6.1 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pEC50 5.59 5.59 5.59 Guide to Pharmacology
5-HT2C 5HT2C Rat 5-Hydroxytryptamine A pEC50 4.62 4.62 4.62 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pEC50 6.94 6.94 6.94 ChEMBL