CHEMBL342323


SMILES NCCc1c[nH]c2ccc(OCCCCCCNS(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)NCCCCCCOc5ccc6[nH]cc(CCN)c6c5)cc4)cc3)cc12
InChIKey GEUIMYGOMQGWKQ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 6
Rotatable bonds 25
Molecular weight (Da) 828.4

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 9.42 9.42 9.42 ChEMBL
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 9.35 9.35 9.35 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 8.78 8.78 8.78 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pEC50 10.0 10.0 10.0 ChEMBL