CHEMBL3597635


SMILES O=C(NCCCCN1CCN(c2cccc3ccccc23)CC1)c1cnc2ccccc2c1
InChIKey RRYFTJVIXONIOF-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 438.2

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-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 8.42 8.42 8.42 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 8.6 8.6 8.6 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 9.48 9.48 9.48 ChEMBL
D3 DRD3 Human Dopamine A pKi 9.46 9.46 9.46 ChEMBL
D2 DRD2 Human Dopamine A pKi 7.8 7.8 7.8 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pEC50 8.05 8.05 8.05 ChEMBL
D3 DRD3 Human Dopamine A pIC50 8.13 8.13 8.13 ChEMBL
D3 DRD3 Human Dopamine A pEC50 7.7 7.7 7.7 ChEMBL
D2 DRD2 Human Dopamine A pIC50 7.54 7.54 7.54 ChEMBL
D2 DRD2 Human Dopamine A pEC50 6.77 6.77 6.77 ChEMBL