CHEMBL2387229


SMILES Cc1cc(=O)oc2c(Cl)c(OCCCCN3CCC(c4noc5cc(F)ccc45)CC3)ccc12
InChIKey QBXXUIOGPPBTJN-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 7
Molecular weight (Da) 484.2

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
D3 DRD3 Rat Dopamine A pKi 8.37 8.37 8.37 ChEMBL
5-HT2C 5HT2C Rat 5-Hydroxytryptamine A pKi 5.77 5.77 5.77 ChEMBL
H1 HRH1 Guinea pig Histamine A pKi 5.95 5.95 5.95 ChEMBL
H1 HRH1 Human Histamine A pKi 5.95 5.95 5.95 ChEMBL
D2 DRD2 Rat Dopamine A pKi 8.59 8.59 8.59 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 5.59 5.59 5.59 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 8.48 8.48 8.48 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 6.64 6.64 6.64 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 5.77 5.77 5.77 ChEMBL
D3 DRD3 Human Dopamine A pKi 8.37 8.37 8.37 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 9.52 9.52 9.52 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 8.48 8.48 8.48 ChEMBL
D2 DRD2 Human Dopamine A pKi 8.59 8.59 8.59 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D3 DRD3 Human Dopamine A pIC50 7.61 7.61 7.61 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pIC50 7.41 7.41 7.41 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pIC50 7.93 7.93 7.93 ChEMBL
D2 DRD2 Human Dopamine A pIC50 7.58 7.58 7.58 ChEMBL