CHEMBL144397


SMILES NCCc1c[nH]c2ccc(OCC(=O)NCCCNC(=O)COc3ccc4[nH]cc(CCN)c4c3)cc12
InChIKey WKSNOTTUESOCSY-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 6
Rotatable bonds 14
Molecular weight (Da) 506.3

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
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 9.52 9.52 9.52 ChEMBL
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 9.52 9.52 9.52 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 8.07 8.07 8.07 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pEC50 10.05 10.05 10.05 ChEMBL