CHEMBL116463


SMILES N#Cc1ccc(CCOC(=O)NC2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
InChIKey GALCSZPFCCZIBC-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 10
Molecular weight (Da) 517.3

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
D5 DRD5 Human Dopamine A pIC50 6.29 6.29 6.29 ChEMBL
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pIC50 5.45 5.45 5.45 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pIC50 5.44 5.44 5.44 ChEMBL
H2 HRH2 Human Histamine A pIC50 6.43 6.43 6.43 ChEMBL
5-HT7 5HT7R Human 5-Hydroxytryptamine A pIC50 6.0 6.0 6.0 ChEMBL
H1 HRH1 Human Histamine A pIC50 6.34 6.34 6.34 ChEMBL
D4 DRD4 Human Dopamine A pIC50 6.26 6.26 6.26 ChEMBL
D1 DRD1 Human Dopamine A pIC50 6.42 6.42 6.42 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pIC50 6.37 6.37 6.37 ChEMBL
D3 DRD3 Human Dopamine A pIC50 6.27 6.27 6.27 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pIC50 6.17 6.17 6.17 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pIC50 6.01 6.01 6.01 ChEMBL
δ OPRD Human Opioid A pIC50 5.24 5.24 5.24 ChEMBL
A3 AA3R Human Adenosine A pIC50 5.22 5.22 5.22 ChEMBL
κ OPRK Human Opioid A pIC50 5.7 5.7 5.7 ChEMBL
μ OPRM Human Opioid A pIC50 5.18 5.18 5.18 ChEMBL
CB1 CNR1 Human Cannabinoid A pIC50 5.21 5.21 5.21 ChEMBL
D2 DRD2 Human Dopamine A pIC50 6.26 6.26 6.26 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pIC50 5.56 5.56 5.56 ChEMBL