CHEMBL224081


SMILES O=C1C[C@@H](NC2CC[S+]([O-])CC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1
InChIKey JUDLFCKNYRAPFJ-HKFLFGGTSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 6
Rotatable bonds 8
Molecular weight (Da) 696.3

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NK2 NK2R Human Tachykinin A pKi 10.6 10.6 10.6 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database