CHEMBL3577346


SMILES CCCCn1cc(CCCOc2ccc(C(=O)NCCCCN(CCC)[C@H]3CCc4c(O)cccc4C3)cc2OC)nn1
InChIKey OVKBSFKFSBQCLW-LJAQVGFWSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 18
Molecular weight (Da) 591.4

Drug properties

Molecular type Small molecule
Endogenous/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 6.16 6.16 6.16 ChEMBL
D1 DRD1 Human Dopamine A pKi 5.54 5.54 5.54 ChEMBL
D4 DRD4 Human Dopamine A pKi 8.03 8.03 8.03 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.15 6.15 6.15 ChEMBL
D3 DRD3 Human Dopamine A pKi 9.68 9.68 9.68 ChEMBL
D2 DRD2 Human Dopamine A pKi 9.27 9.3 9.33 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D2 DRD2 Human Dopamine A pEC50 8.4 8.6 8.85 ChEMBL