CHEMBL444404


SMILES CN1CCC(c2c[nH]c3ccc(NC(=O)CCCC(=O)Nc4ccc5[nH]cc(C6CCN(C)CC6)c5c4)cc23)CC1
InChIKey JNTCRFXUAJQADD-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 4
Rotatable bonds 8
Molecular weight (Da) 554.3

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 9.12 9.12 9.12 ChEMBL
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 9.02 9.02 9.02 ChEMBL
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 9.12 9.12 9.12 PDSP Ki database
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 9.02 9.02 9.02 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database