CHEMBL3771384


SMILES C=CCOc1cc(F)c(F)cc1C1CC1CN
InChIKey RNMADLUWJVACLJ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 239.1

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
α2B ADA2B Human Adrenoceptors A pKi 5.81 6.12 6.42 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 6.56 6.56 6.56 ChEMBL
H2 HRH2 Human Histamine A pKi 5.47 5.47 5.47 ChEMBL
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 5.55 5.55 5.55 ChEMBL
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 5.89 5.94 5.99 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 6.18 6.48 6.78 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 7.16 7.17 7.17 ChEMBL
D4 DRD4 Human Dopamine A pKi 5.77 5.77 5.77 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 6.94 6.95 6.96 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 6.09 6.09 6.09 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 7.54 7.55 7.57 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 6.03 6.08 6.12 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 5.8 5.8 5.8 ChEMBL
D3 DRD3 Human Dopamine A pKi 6.7 6.71 6.71 ChEMBL
D2 DRD2 Human Dopamine A pKi 5.31 5.31 5.31 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pEC50 5.76 5.76 5.76 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pEC50 6.94 7.5 8.06 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pEC50 6.08 6.2 6.31 ChEMBL