Chembl4067439


SMILES COc1ccccc1N1CCN(CCCCOc2ccc3c(C=O)cnn3c2)CC1
InChIKey ZYJQELHTQSMKFH-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 9
Molecular weight (Da) 408.2

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 5.85 5.85 5.85 ChEMBL
D4 DRD4 Human Dopamine A pKi 8.37 8.37 8.37 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 5.82 5.82 5.82 ChEMBL
D3 DRD3 Human Dopamine A pKi 7.77 7.77 7.77 ChEMBL
D3 DRD3 Human Dopamine A pEC50 7.72 7.72 7.73 ChEMBL
D2 DRD2 Human Dopamine A pKi 8.11 8.11 8.11 ChEMBL
D2 DRD2 Human Dopamine A pEC50 6.81 7.97 8.59 ChEMBL