aprepitant



aprepitant


SMILES Fc1ccc(cc1)[C@H]1[C@H](OCCN1Cc1[nH][nH]c(=O)n1)O[C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C
InChIKey ATALOFNDEOCMKK-OITMNORJSA-N

Chemical Properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 6
Molecular weight (Da) 534.2

Database connections

Structure pdb 6HLO 6J20 6J21

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

aprepitant


Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Clinical Trials

Phase I 2
Phase II 6
Phase III 1
Approved Yes

Database connections

Structure pdb 6HLO 6J20 6J21

Sankey plot

Drug Information

Target Disease Phase
Gene Protein Receptor family Ligand type Class Indication name ICD11 ATC Association score Phase Approved