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 Mouse Neuropeptide S A pKd 7.82 7.82 7.82 ChEMBL
NPS NPSR1 Human Neuropeptide S A pKi 7.32 7.32 7.32 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
GPR119 GP119 Human GPR18, GPR55 and GPR119 A pEC50 5.62 5.62 5.62 ChEMBL
FFA4 FFAR4 Human Free fatty acid A pEC50 5.54 5.54 5.54 ChEMBL
β2 ADRB2 Human Adrenoceptors A pEC50 5.24 5.24 5.24 ChEMBL
NPS NPSR1 Human Neuropeptide S A pIC50 6.38 7.34 8.28 ChEMBL
apelin APJ Human Apelin A pEC50 5.65 5.65 5.65 ChEMBL
GLP-1 GLP1R Human Glucagon B1 pEC50 5.53 5.53 5.53 ChEMBL