SCH 206272


SMILES CO/N=C(/[C@@H](c1ccc(c(c1)Cl)Cl)CCN1CCC(CC1)N1CCC[C@@H](C1=O)CC(=O)NC)\CN(C(=O)c1cc(Cl)cc(c1)Cl)C
InChIKey UITMLIVWRRGLLR-SUFYPKAWSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 12
Molecular weight (Da) 711.2

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
NK1 NK1R Human Tachykinin A pKi 8.3 8.6 8.9 Guide to Pharmacology
NK2 NK2R Human Tachykinin A pKi 9.4 9.4 9.4 Guide to Pharmacology
NK3 NK3R Human Tachykinin A pKi 9.5 9.5 9.5 Guide to Pharmacology
NK3 NK3R Human Tachykinin A pKi 9.52 9.52 9.52 ChEMBL
NK1 NK1R Human Tachykinin A pKi 8.89 8.89 8.89 ChEMBL
NK2 NK2R Human Tachykinin A pKi 9.4 9.4 9.4 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database