NCGC 84


SMILES Cc1n(C/C=C/c2ccccc2)c2[n+](c1P(=S)(c1ccccc1)c1ccccc1)cccc2
InChIKey VSWYSDPXUHVQCG-DTQAZKPQSA-N

Chemical properties

Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 6
Molecular weight (Da) 465.2

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
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NPS NPSR1 Human Neuropeptide S A pIC50 7.35 8.43 9.02 ChEMBL
NPS NPSR1 Human Neuropeptide S A Potency 6.41 6.88 7.36 ChEMBL
NPS NPSR1 Human Neuropeptide S A pA2 8.98 8.98 8.98 Guide to Pharmacology
μ OPRM Human Opioid A pIC50 6.24 6.24 6.24 ChEMBL