dosulepin [3021]



dosulepin


SMILES CN(C)CC/C=C1/c2ccccc2CSc2ccccc21
InChIKey PHTUQLWOUWZIMZ-BOPFTXTBSA-N

Chemical Properties

Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 3
Log P 4.676
Molecular weight (Da) 295.1
Stereochemistry info unspecified

Database connections

Model (Boltz2) 5-HT2A 5-HT2A α1A α1A H1 H1 M3 M3 M4 M4 α1B 5-HT1A 5-HT1A M1 M1 M2 M2 α1B α2C α2C M5 M5 α2B α2B α1D α1D α2A α2A
GPCRdb related ligands

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

dosulepin


Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Distribution across phases (no. indications)

Phase I 0
Phase II 0
Phase III 0
Phase IV 15

Database connections

Model (Boltz2) 5-HT2A 5-HT2A α1A α1A H1 H1 M3 M3 M4 M4 α1B 5-HT1A 5-HT1A M1 M1 M2 M2 α1B α2C α2C M5 M5 α2B α2B α1D α1D α2A α2A

Sankey plot

Drug Information

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