First Eluded Isomer

Chemical Properties

SMILES C[C@@H](O[C@H]1CN2C(=O)C3CNCC3[C@H]2[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight 516.2

Drug Properties

Type Small molecule
Endogenous No
Approved No
InChIKey GWVQSXPCYOIETL-KIEWGBFISA-N

Database Connections

External Links


Bioactivity

Receptor Experimental Data Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NK1 NK1R Human Tachykinin A pIC50 7.82 8.66 9.51 ChEMBL