CHEMBL501645


SMILES O=C(Nc1ccc2[nH]cc(C3CCN(CCOCCOCCOCCN4CCC(c5c[nH]c6ccc(NC(=O)c7ccc(F)cc7)cc56)CC4)CC3)c2c1)c1ccc(F)cc1
InChIKey WBNRIXDAXMDBDQ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 4
Rotatable bonds 18
Molecular weight (Da) 832.4

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-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 7.5 7.5 7.5 ChEMBL
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 8.41 8.41 8.41 ChEMBL
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 7.49 7.49 7.49 PDSP Ki database
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 8.41 8.41 8.41 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database