amitriptyline [829]



amitriptyline


SMILES CN(C)CCC=C1c2ccccc2CCc2ccccc21
InChIKey KRMDCWKBEZIMAB-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 3
Log P 4.169
Molecular weight (Da) 277.2
Stereochemistry info unspecified

Database connections

Model (Boltz2) 5-HT2A
Ligand site mutations 5-HT6

Bioactivities

Receptor Activity Source
Protein Gene Species Family Class Type Min Avg Max Database
Receptor Activity Source
Protein Gene Species Family Class Type Min Avg Max Database

amitriptyline


Drug properties

Molecular type Lipid
Physiological/Surrogate Surrogate
Approved drug Yes

Distribution across phases (no. indications)

Phase I 0
Phase II 6
Phase III 8
Phase IV 2

Database connections

Model (Boltz2) 5-HT2A
Ligand site mutations 5-HT6

Sankey plot

Drug Information

Target Disease
Gene Protein Receptor family Ligand type Class Name Phase ICD11 ATC Association score