CHEMBL144030


SMILES NCCc1c[nH]c2ccc(OCc3ccc(COc4ccc5[nH]cc(CCN)c5c4)cc3)cc12
InChIKey IFTLFEAARDEHJJ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 4
Rotatable bonds 10
Molecular weight (Da) 454.2

Drug properties

Molecular type Small molecule
Endogenous/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 10.0 10.0 10.0 ChEMBL
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 9.96 9.96 9.96 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 8.8 8.8 8.8 ChEMBL
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 10.0 10.0 10.0 PDSP Ki database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 8.8 8.8 8.8 PDSP Ki database
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 9.96 9.96 9.96 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pEC50 8.52 8.52 8.52 ChEMBL