CHEMBL423022


SMILES C[C@@H](NC1CCN(CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1)[C@H](O)c1ccccc1
InChIKey YXCHIJNCMZCTBW-HRFSGMKKSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 9
Molecular weight (Da) 458.3

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
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pIC50 6.7 6.7 6.7 ChEMBL
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pEC50 7.82 7.82 7.82 ChEMBL
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pIC50 7.96 7.96 7.96 ChEMBL