L-162,313


SMILES CCCCOC(=O)NS(=O)(=O)c1sc(cc1c1ccc(cc1)Cn1c(CC)nc2c1nc(C)cc2C)CC(C)C
InChIKey RINPELQWLUGERM-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 11
Molecular weight (Da) 582.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
AT1 AGTR1 Pig Angiotensin A pKi 8.7 8.7 8.7 ChEMBL
AT1 AGTRA Rat Angiotensin A pKi 8.41 8.59 8.96 ChEMBL
AT2 AGTR2 Human Angiotensin A pKi 8.55 8.6 8.7 ChEMBL
AT1 AGTR1 Human Angiotensin A pKi 8.96 8.96 8.96 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
AT1 AGTR1 Human Angiotensin A pIC50 7.85 7.88 7.92 Guide to Pharmacology
AT2 AGTR2 Human Angiotensin A pIC50 8.7 8.7 8.7 ChEMBL
AT1 AGTR1 Human Angiotensin A pIC50 8.96 8.96 8.96 ChEMBL
TSH TSHR Human Glycoprotein hormone A Potency 4.7 4.7 4.7 ChEMBL
NPS NPSR1 Human Neuropeptide S A Potency 4.9 4.9 4.9 ChEMBL
AT2 AGTR2 Rat Angiotensin A pIC50 8.7 8.7 8.7 ChEMBL
M1 ACM1 Rat Acetylcholine (muscarinic) A Potency 8.15 8.15 8.15 ChEMBL