S33084


SMILES N#Cc1ccc2c(c1)[C@H]1CN(C[C@@H]1CO2)CCCCNC(=O)c1ccc(cc1)c1ccccc1
InChIKey QQJHRQZZCNYDMX-VPUSJEBWSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 451.2

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 6.1 6.1 6.1 Guide to Pharmacology
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 6.9 6.9 6.9 Guide to Pharmacology
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.0 6.0 6.0 Guide to Pharmacology
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 6.8 6.8 6.8 Guide to Pharmacology
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 7.1 7.1 7.1 Guide to Pharmacology
D3 DRD3 Human Dopamine A pKi 9.6 9.6 9.6 Guide to Pharmacology
D3 DRD3 Rat Dopamine A pKi 8.62 8.62 8.62 ChEMBL
D2 DRD2 Rat Dopamine A pKi 6.69 6.69 6.69 ChEMBL
D3 DRD3 Human Dopamine A pKi 9.5 9.5 9.5 ChEMBL
D2 DRD2 Human Dopamine A pKi 7.5 7.5 7.5 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database