CHEMBL424294


SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3s2)CC1
InChIKey KFMBPIZMZUDONQ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 423.2

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-HT2A 5HT2A Pig 5-Hydroxytryptamine A pKi 6.46 6.46 6.46 ChEMBL
D1 DRD1 Pig Dopamine A pKi 6.09 6.09 6.09 ChEMBL
D4 DRD4 Human Dopamine A pKi 6.52 7.45 7.82 ChEMBL
D1 DRD1 Human Dopamine A pKi 6.1 6.13 6.17 ChEMBL
D3 DRD3 Human Dopamine A pKi 9.57 9.64 9.72 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.92 6.92 6.92 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.39 7.39 7.39 ChEMBL
D2 DRD2 Human Dopamine A pKi 7.02 7.19 7.6 ChEMBL
D3 DRD3 Human Dopamine A pKi 9.64 9.64 9.64 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D3 DRD3 Human Dopamine A pEC50 9.44 9.44 9.44 ChEMBL
D3 DRD3 Human Dopamine A pIC50 9.66 9.66 9.66 ChEMBL