CHEMBL5422870


SMILES COCCOCCOc1ccc(NC(=O)NCCCN2CCN(c3ccccc3OC)CC2)c(-c2ccccc2)c1
InChIKey HZBAKQLOTJCSJX-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 15
Molecular weight (Da) 562.3

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 5.41 5.41 5.41 ChEMBL
D4 DRD4 Human Dopamine A pKi 8.68 8.68 8.68 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 7.42 7.42 7.42 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 6.39 6.39 6.39 ChEMBL
D1 DRD1 Human Dopamine A pKi 7.66 7.66 7.66 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 6.66 6.66 6.66 ChEMBL
D3 DRD3 Human Dopamine A pKi 7.07 7.07 7.07 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 5.82 5.82 5.82 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.89 7.01 7.13 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D4 DRD4 Human Dopamine A pEC50 5.77 6.66 7.5 ChEMBL