Chembl4079301


SMILES COc1ccccc1N1CCN(CCCCOc2ccn3nc(C#N)cc3c2)CC1
InChIKey ZJQAMIJDWJOQRB-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 8
Molecular weight (Da) 405.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections


Bioactivity

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D1 DRD1 Human Dopamine A pKi 6.55 6.55 6.55 ChEMBL
D4 DRD4 Human Dopamine A pKi 8.28 8.28 8.28 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.39 6.39 6.39 ChEMBL
D3 DRD3 Human Dopamine A pKi 7.92 7.92 7.92 ChEMBL
D3 DRD3 Human Dopamine A pEC50 7.51 7.51 7.51 ChEMBL
D2 DRD2 Human Dopamine A pKi 7.92 7.92 7.92 ChEMBL
D2 DRD2 Human Dopamine A pEC50 5.85 5.93 6.01 ChEMBL