CHEMBL430798


SMILES CN1CCN(C2=Nc3ccccc3Oc3ccc(OS(=O)(=O)C(F)(F)F)cc32)CC1
InChIKey DQNCRNVCBHYBQP-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 2
Molecular weight (Da) 441.1

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
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
H1 HRH1 Rat Histamine A pIC50 6.92 6.92 6.92 ChEMBL
5-HT2C 5HT2C Rat 5-Hydroxytryptamine A pIC50 7.0 7.0 7.0 ChEMBL
D1 DRD1 Rat Dopamine A pIC50 7.18 7.18 7.18 ChEMBL
D2 DRD2 Rat Dopamine A pIC50 7.4 7.4 7.4 ChEMBL
D4 DRD4 Human Dopamine A pIC50 6.82 6.82 6.82 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pIC50 6.31 6.31 6.31 ChEMBL
D3 DRD3 Human Dopamine A pIC50 7.54 7.54 7.54 ChEMBL
D2 DRD2 Human Dopamine A pIC50 7.28 7.28 7.28 ChEMBL