CHEMBL5403204


SMILES COc1ccc(-c2ccccc2)c(CNC(=O)NCCCN2CCN(c3ccccc3OC)CC2)c1
InChIKey HEPZPDOHSGVKLD-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 10
Molecular weight (Da) 488.3

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
D5 DRD5 Human Dopamine A pKi 5.52 5.52 5.52 ChEMBL
D4 DRD4 Human Dopamine A pKi 8.8 8.8 8.8 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 8.05 8.05 8.05 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 6.7 6.7 6.7 ChEMBL
D1 DRD1 Human Dopamine A pKi 6.55 6.55 6.55 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.57 7.57 7.57 ChEMBL
D3 DRD3 Human Dopamine A pKi 6.92 6.92 6.92 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.92 6.92 6.92 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.89 7.0 7.11 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D4 DRD4 Human Dopamine A pEC50 4.89 6.2 7.58 ChEMBL