CHEMBL5425252


SMILES COc1ccccc1N1CCN(CCCNC(=O)NCc2ccccc2-c2ccccc2)CC1
InChIKey RGPTYLNPCNVHNC-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 9
Molecular weight (Da) 458.3

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 5.48 5.48 5.48 ChEMBL
D4 DRD4 Human Dopamine A pKi 9.27 9.27 9.27 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 7.96 7.96 7.96 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 6.92 6.92 6.92 ChEMBL
D1 DRD1 Human Dopamine A pKi 6.32 6.32 6.32 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.21 7.21 7.21 ChEMBL
D3 DRD3 Human Dopamine A pKi 6.57 6.57 6.57 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.85 6.85 6.85 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.72 6.82 6.92 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D4 DRD4 Human Dopamine A pEC50 4.82 6.11 7.77 ChEMBL