fentanyl [3353]



fentanyl


SMILES CCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1
InChIKey PJMPHNIQZUBGLI-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 6
Log P 4.137
Molecular weight (Da) 336.2
Stereochemistry info unspecified

Database connections

Structure pdb 8EF5
Model (Boltz2) μ δ

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

fentanyl


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 8
Phase IV 2

Database connections

Structure pdb 8EF5
Model (Boltz2) μ δ

Sankey plot

Drug Information

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