CHEMBL113956


SMILES CCOc1ccc(CCNC(=O)N2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
InChIKey NFBNIRNKYJTDIE-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 11
Molecular weight (Da) 521.3

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 5.84 5.84 5.84 ChEMBL
NK2 NK2R Human Tachykinin A pIC50 5.29 5.29 5.29 ChEMBL
5-HT7 5HT7R Human 5-Hydroxytryptamine A pIC50 5.69 5.69 5.69 ChEMBL
NK1 NK1R Human Tachykinin A pIC50 6.08 6.08 6.08 ChEMBL
H1 HRH1 Human Histamine A pIC50 5.74 5.74 5.74 ChEMBL
D1 DRD1 Human Dopamine A pIC50 6.01 6.01 6.01 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pIC50 6.1 6.1 6.1 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pIC50 5.85 5.85 5.85 ChEMBL
D3 DRD3 Human Dopamine A pIC50 6.47 6.47 6.47 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pIC50 6.64 6.64 6.64 ChEMBL
δ OPRD Human Opioid A pIC50 5.07 5.07 5.07 ChEMBL
A3 AA3R Human Adenosine A pIC50 5.61 5.61 5.61 ChEMBL
κ OPRK Human Opioid A pIC50 5.38 5.38 5.38 ChEMBL
μ OPRM Human Opioid A pIC50 5.34 5.34 5.34 ChEMBL
D2 DRD2 Human Dopamine A pIC50 5.54 5.54 5.54 ChEMBL
H2 HRH2 Human Histamine A pIC50 6.12 6.12 6.12 ChEMBL