CHEMBL474473


SMILES COc1ccc(-c2ccc(C(=O)Nc3cccc(Cn4ncc(N5CCNCC5)c(Cl)c4=O)c3C)cc2)cn1
InChIKey QIRVZVCPNDJFQS-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 7
Molecular weight (Da) 544.2

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-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 5.77 5.77 5.77 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 5.81 5.81 5.81 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 5.53 5.53 5.53 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MRGPRX1 MRGX1 Human A orphans A pEC50 7.62 7.62 7.62 ChEMBL