CHEMBL1928125


SMILES COc1ccccc1N1CCN(CCCNC(=O)c2ccc(COCCOCCOCCOCCOCc3ccc(C(=O)NCCCN4CCN(c5ccccc5OC)CC4)cc3)cc2)CC1
InChIKey LLJNHDOQJFYFCL-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 13
Hydrogen bond donors 2
Rotatable bonds 30
Molecular weight (Da) 924.5

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
α1A Q9TSW7 Pig Adrenoceptors A pKi 8.72 8.72 8.72 ChEMBL
D1 DRD1 Pig Dopamine A pKi 6.24 6.24 6.24 ChEMBL
D4 DRD4 Human Dopamine A pKi 7.09 7.09 7.09 ChEMBL
D3 DRD3 Human Dopamine A pKi 7.08 7.08 7.08 ChEMBL
D2 DRD2 Human Dopamine A pKi 7.38 7.55 7.72 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database