CHEMBL3287403


SMILES O/N=C/c1cnn2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc12
InChIKey DWMNREQVNSYYID-WGOQTCKBSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 461.1

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
D4 DRD4 Human Dopamine A pKi 8.22 8.25 8.28 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 8.11 8.25 8.4 ChEMBL
D3 DRD3 Human Dopamine A pKi 8.64 8.9 9.16 ChEMBL
D2 DRD2 Human Dopamine A pKi 8.74 9.22 9.77 ChEMBL
D1 DRD1 Human Dopamine A pKi 5.37 5.77 6.17 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D3 DRD3 Human Dopamine A pEC50 7.37 7.39 7.41 ChEMBL
D2 DRD2 Human Dopamine A pEC50 6.56 6.59 6.63 ChEMBL
D2 DRD2 Human Dopamine A pIC50 8.42 8.42 8.42 ChEMBL