CHEMBL2396663


SMILES C#CC1=CC[C@@H](N(CCC)CCCCNC(=O)c2ccc(-c3ccccc3)cc2)CC1
InChIKey PWZPBZQTTHOCIS-HHHXNRCGSA-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
Endogenous/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 6.72 6.72 6.72 ChEMBL
D1 DRD1 Human Dopamine A pKi 4.89 4.89 4.89 ChEMBL
D4 DRD4 Human Dopamine A pKi 7.52 7.74 7.96 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 5.05 5.05 5.05 ChEMBL
D3 DRD3 Human Dopamine A pKi 9.0 9.38 9.77 ChEMBL
D2 DRD2 Human Dopamine A pKi 7.68 8.18 8.92 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D2 DRD2 Human Dopamine A pEC50 5.82 6.69 7.8 ChEMBL