CHEMBL490417


SMILES Cc1ccc2c(N3CCN(CCc4ccc5c(c4)NC(=O)CO5)CC3)cccc2n1
InChIKey KGVROJQOCQABGA-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 402.2

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 6.6 8.3 9.7 ChEMBL
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 9.3 9.65 9.8 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 6.5 6.5 6.5 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 5.4 5.4 5.4 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 5.9 5.9 5.9 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 9.6 9.84 10.2 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.5 6.5 6.5 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pEC50 9.3 9.3 9.3 ChEMBL