aprepitant



aprepitant


SMILES C[C@@H](O[C@H]1OCCN(Cc2nc(=O)[nH][nH]2)[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
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

No bioactivity data available.

aprepitant


Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Distribution across phases (no. indications)

Phase I
Phase II
Phase III
Phase IV

Database connections

Structure pdb 6HLO 6J20 6J21

Compound is not listed as a drug.