CHEMBL4743867


SMILES OCCN1CCN(CCC=C2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1
InChIKey NJMYODHXAKYRHW-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 434.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 8.29 8.29 8.29 Drug Central
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 8.15 8.15 8.15 Drug Central
D1 DRD1 Human Dopamine A pKi 8.08 8.08 8.08 Drug Central
D2 DRD2 Human Dopamine A pKi 8.05 8.05 8.05 Drug Central
D3 DRD3 Human Dopamine A pKi 8.05 8.05 8.05 Drug Central
D4 DRD4 Human Dopamine A pKi 8.06 8.06 8.06 Drug Central
D5 DRD5 Human Dopamine A pKi 8.09 8.09 8.09 Drug Central
H1 HRH1 Human Histamine A pKi 8.04 8.04 8.04 Drug Central
D1 DRD1 Bovine Dopamine A pKi 8.11 8.11 8.11 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D1 DRD1 Rat Dopamine A pIC50 8.02 8.02 8.02 Drug Central