RS-102221


SMILES COc1cc(OC)c(cc1C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O)NS(=O)(=O)c1ccc(cc1)C(F)(F)F
InChIKey HZZZZODVDSHQRG-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 11
Molecular weight (Da) 612.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Ligand site mutations 5-HT1A 5-HT2C

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 5.5 5.75 6.0 Guide to Pharmacology
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 6.0 6.05 6.1 Guide to Pharmacology
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 8.3 8.35 8.4 Guide to Pharmacology
5-HT2A 5HT2A Rat 5-Hydroxytryptamine A pKi 6.8 6.8 6.8 Guide to Pharmacology
5-HT2C 5HT2C Rat 5-Hydroxytryptamine A pKi 8.4 8.4 8.4 Guide to Pharmacology
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 6.5 6.5 6.5 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 8.41 8.92 9.22 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.2 6.2 6.2 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pIC50 8.08 8.51 8.82 ChEMBL