CHEMBL502138


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

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 4
Rotatable bonds 17
Molecular weight (Da) 680.5

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 9.3 9.3 9.3 ChEMBL
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 9.3 9.3 9.3 PDSP Ki database
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 8.77 8.77 8.77 PDSP Ki database
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 8.77 8.77 8.77 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database