CHEMBL3577342


SMILES C#CC1=CC[C@@H](N(CCC)CCCCNC(=O)c2ccc(OCCCc3cn(CCCC)nn3)c(OC)c2)CO1
InChIKey XPMUUENUQYZASR-HHHXNRCGSA-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 4.62 4.62 4.62 ChEMBL
D1 DRD1 Human Dopamine A pKi 5.58 5.58 5.58 ChEMBL
D4 DRD4 Human Dopamine A pKi 7.52 7.52 7.52 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 5.1 5.1 5.1 ChEMBL
D3 DRD3 Human Dopamine A pKi 9.2 9.2 9.2 ChEMBL
D2 DRD2 Human Dopamine A pKi 8.54 8.67 8.8 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D2 DRD2 Human Dopamine A pEC50 6.18 6.88 7.55 ChEMBL