CHEMBL5400232


SMILES COc1ccccc1N1CCN(CCCNC(=O)Nc2ccccc2-c2ccccc2)CC1
InChIKey IBNWNWKMISLVQT-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 8
Molecular weight (Da) 444.3

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 5.35 5.35 5.35 ChEMBL
D4 DRD4 Human Dopamine A pKi 8.24 8.24 8.24 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 8.15 8.15 8.15 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 7.55 7.55 7.55 ChEMBL
D1 DRD1 Human Dopamine A pKi 6.14 6.14 6.14 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.6 7.6 7.6 ChEMBL
D3 DRD3 Human Dopamine A pKi 7.24 7.24 7.24 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.02 6.02 6.02 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.68 6.84 7.0 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D4 DRD4 Human Dopamine A pEC50 5.42 6.81 8.22 ChEMBL