CHEMBL2397389


SMILES C#CC1=CC[C@H](N(CCC)CCCCNC(=O)c2ccc(-c3ccccc3)cc2)CC1
InChIKey PWZPBZQTTHOCIS-MHZLTWQESA-N

Chemical properties

Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 10
Molecular weight (Da) 414.3

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
D1 DRD1 Pig Dopamine A pKi 6.52 6.52 6.52 ChEMBL
D4 DRD4 Human Dopamine A pKi 7.22 7.73 8.24 ChEMBL
D1 DRD1 Human Dopamine A pKi 4.75 4.75 4.75 ChEMBL
D3 DRD3 Human Dopamine A pKi 8.37 9.14 9.92 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 4.55 4.55 4.55 ChEMBL
D2 DRD2 Human Dopamine A pKi 7.75 8.17 9.22 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D2 DRD2 Human Dopamine A pEC50 5.62 6.66 7.26 ChEMBL