CHEMBL47544


SMILES CC[C@H](NC(=O)c1c(CN2CCC(N3CCCCC3)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1
InChIKey KQCIBGUILOITBS-YTTGMZPUSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 546.3

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NK3 NK3R Human Tachykinin A pKi 8.82 8.82 8.82 ChEMBL
NK2 NK2R Human Tachykinin A pKi 8.34 8.34 8.34 ChEMBL
μ OPRM Human Opioid A pKi 6.04 6.04 6.04 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database