CHEMBL3577343


SMILES C#CC1=CC[C@H](N(CCC)CCCCNC(=O)c2ccc(OCCCc3cn(CCCC)nn3)c(OC)c2)CO1
InChIKey XPMUUENUQYZASR-MHZLTWQESA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 18
Molecular weight (Da) 551.3

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 4.32 4.32 4.32 ChEMBL
D1 DRD1 Human Dopamine A pKi 5.41 5.41 5.41 ChEMBL
D4 DRD4 Human Dopamine A pKi 6.75 6.75 6.75 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 4.85 4.85 4.85 ChEMBL
D3 DRD3 Human Dopamine A pKi 8.66 8.66 8.66 ChEMBL
D2 DRD2 Human Dopamine A pKi 8.0 8.16 8.31 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D2 DRD2 Human Dopamine A pEC50 5.54 6.2 7.05 ChEMBL