L-694,247


SMILES NCCc1c[nH]c2c1cc(cc2)c1onc(n1)Cc1ccc(cc1)NS(=O)(=O)C
InChIKey HKXMQLISPYELRD-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 7
Molecular weight (Da) 411.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Ligand site mutations 5-HT1B

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 9.3 9.3 9.3 Guide to Pharmacology
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 9.2 9.2 9.2 Guide to Pharmacology
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 9.0 9.0 9.0 Guide to Pharmacology
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pIC50 6.5 6.5 6.5 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pIC50 8.5 8.5 8.5 ChEMBL