SHA 68


SMILES Fc1ccc(cc1)CNC(=O)N1CCN2C(C1)C(OC2=O)(c1ccccc1)c1ccccc1
InChIKey SFRQIPRTNYHJHP-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 445.2

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
NPS NPSR1 Human Neuropeptide S A pKi 7.32 7.32 7.32 ChEMBL
NPS NPSR1 Mouse Neuropeptide S A pKd 7.82 7.82 7.82 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NPS NPSR1 Mouse Neuropeptide S A pA2 8.1 8.1 8.1 Guide to Pharmacology
NPS NPSR1 Rat Neuropeptide S A pA2 7.6 7.6 7.6 Guide to Pharmacology
NPS NPSR1 Human Neuropeptide S A pIC50 6.38 7.34 8.28 ChEMBL