CHEMBL3597649


SMILES COc1ccccc1N1CCN(CC(O)CCNC(=O)c2cnc3ccccc3c2)CC1
InChIKey FKBRVKLQNBDXPE-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 8
Molecular weight (Da) 434.2

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 5.75 5.75 5.75 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.17 7.17 7.17 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.46 6.46 6.46 ChEMBL
D3 DRD3 Human Dopamine A pKi 7.47 7.47 7.47 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.04 6.04 6.04 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pEC50 6.47 6.47 6.47 ChEMBL
D3 DRD3 Human Dopamine A pEC50 9.02 9.02 9.02 ChEMBL
D3 DRD3 Human Dopamine A pIC50 7.33 7.33 7.33 ChEMBL