CHEMBL158941


SMILES CN(C)CCc1c[nH]c2ccc(CS(=O)(=O)N(C)Cc3ccc(CN(C)S(=O)(=O)Cc4ccc5[nH]cc(CCN(C)C)c5c4)cc3)cc12
InChIKey GICSJGBGXBQUQQ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 16
Molecular weight (Da) 692.3

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
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 9.19 9.19 9.19 ChEMBL
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 9.05 9.05 9.05 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.75 7.75 7.75 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.75 7.75 7.75 PDSP Ki database
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 9.19 9.19 9.19 PDSP Ki database
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 9.05 9.05 9.05 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pEC50 9.24 9.24 9.24 ChEMBL