CHEMBL1083850


SMILES Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCN(CC5CCOCC5)CC4)Cc4ccccc4)CCCC3)sc2c1
InChIKey MYXKMTKFUPOTOZ-YTTGMZPUSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 12
Molecular weight (Da) 630.4

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 pKd 9.7 9.7 9.7 ChEMBL
NK2 NK2R Human Tachykinin A pKi 10.3 10.3 10.3 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database