CHEMBL1928128


SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(COCCOCCOCCOCCOCCOCc3ccc(C(=O)NCCCCN4CCN(c5ccccc5OC)CC4)cc3)cc2)CC1
InChIKey OTFGIKBDQRIECS-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 14
Hydrogen bond donors 2
Rotatable bonds 35
Molecular weight (Da) 996.6

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 8.66 8.66 8.66 ChEMBL
D1 DRD1 Pig Dopamine A pKi 6.22 6.22 6.22 ChEMBL
D4 DRD4 Human Dopamine A pKi 7.11 7.11 7.11 ChEMBL
D3 DRD3 Human Dopamine A pKi 9.64 9.64 9.64 ChEMBL
D2 DRD2 Human Dopamine A pKi 7.7 7.78 7.85 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database