flupentixol [Ligand Id: 948] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL54661 (Flupentixol, LC 44, LC-44, N-7009)
  • D1 receptor in Human [GtoPdb: 214] [UniProtKB: P21728]
  • D1 receptor/Dopamine D1 receptor in Rat [ChEMBL: CHEMBL265] [GtoPdb: 214] [UniProtKB: P18901]
  • This target only has 1 pki data point
  • 0
1 CHEMBL54661_lig_chart_1 D1 receptor HumanRat
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  • K2P2.1/Potassium channel subfamily K member 2 in Human [ChEMBL: CHEMBL2321615] [GtoPdb: 514] [UniProtKB: O95069]
  • This target only has 0 pki data point
  • 0
2 CHEMBL54661_lig_chart_2 Potassium channel subfamily K member 2 Human
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  • sigma non-opioid intracellular receptor 1/Sigma opioid receptor in Human [ChEMBL: CHEMBL287] [GtoPdb: 2552] [UniProtKB: Q99720]
  • This target only has 0 pki data point
  • 0
3 CHEMBL54661_lig_chart_3 Sigma opioid receptor Human
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  • Organic cation transporter 1/Solute carrier family 22 member 1 in Human [ChEMBL: CHEMBL5685] [GtoPdb: 1019] [UniProtKB: O15245]
  • This target only has 0 pki data point
  • 0
4 CHEMBL54661_lig_chart_4 Solute carrier family 22 member 1 Human
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  • ubiquitin specific peptidase 1/Ubiquitin carboxyl-terminal hydrolase 1/WD repeat-containing protein 48 in Human [ChEMBL: CHEMBL3430885] [GtoPdb: 2428] [UniProtKB: O94782Q8TAF3]
  • This target only has 0 pki data point
  • 0
5 CHEMBL54661_lig_chart_5 Ubiquitin carboxyl-terminal hydrolase 1/WD repeat-containing protein 48 Human
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  • D2 receptor in Human [GtoPdb: 215] [UniProtKB: P14416]
  • This target only has 1 pki data point
  • 8.82
6 CHEMBL54661_lig_chart_6 D2 receptor Human
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  • D3 receptor in Human [GtoPdb: 216] [UniProtKB: P35462]
  • This target only has 1 pki data point
  • 8.96
7 CHEMBL54661_lig_chart_7 D3 receptor Human
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  • D5 receptor in Human [GtoPdb: 218] [UniProtKB: P21918]
  • This target only has 1 pki data point
  • 8.1
8 CHEMBL54661_lig_chart_8 D5 receptor Human
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
D1 receptor in Human [GtoPdb: 214] [UniProtKB: P21728]
GtoPdb Note that this assay uses the cis form of the compound, whereas the approved drug is a racemic mixture of cis and trans molecules. - 8.4 pKi - - - Nature (1991) 350: 614-9 [PMID:1826762];
J Biol Chem (1994) 269: 27925-31 [PMID:7525564]
D1 receptor/Dopamine D1 receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL265] [GtoPdb: 214] [UniProtKB: P18901]
ChEMBL In vivo binding affinity against dopamine (D1) receptor in rat caudate-putamen tissue using [3H]SCH-23390 as radioligand B 9.52 pIC50 0.3 nM IC50 Bioorg. Med. Chem. Lett. (2003) 13: 4015-4017 [PMID:14592497]
K2P2.1/Potassium channel subfamily K member 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2321615] [GtoPdb: 514] [UniProtKB: O95069]
ChEMBL Inhibition of of human TREK1 expressed in whole COS cells assessed as reduction in channel currents B 5.7 pIC50 2000 nM IC50 J. Med. Chem. (2016) 59: 5149-5157 [PMID:26588045]
sigma non-opioid intracellular receptor 1/Sigma opioid receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL287] [GtoPdb: 2552] [UniProtKB: Q99720]
ChEMBL The compound was tested for affinity towards sigma-3 receptor B 8.65 pIC50 2.24 nM IC50 J. Med. Chem. (1994) 37: 4109-4117 [PMID:7990111]
Organic cation transporter 1/Solute carrier family 22 member 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5685] [GtoPdb: 1019] [UniProtKB: O15245]
ChEMBL Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy B 4.05 pIC50 89500 nM IC50 J. Med. Chem. (2008) 51: 5932-5942 [PMID:18788725]
ChEMBL Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy B 4.05 pIC50 89500 nM IC50 J. Med. Chem. (2008) 51: 5932-5942 [PMID:18788725]
ubiquitin specific peptidase 1/Ubiquitin carboxyl-terminal hydrolase 1/WD repeat-containing protein 48 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL3430885] [GtoPdb: 2428] [UniProtKB: O94782Q8TAF3]
ChEMBL Inhibition of human USP1/UAF1 complex using Ub-Rho as substrate by qHTS assay B 5.15 pIC50 7000 nM IC50 J Med Chem (2016) 59: 9321-9336 [PMID:27362876]
D2 receptor in Human [GtoPdb: 215] [UniProtKB: P14416]
GtoPdb - - 8.82 pKi 1.5 nM Ki J Pharmacol Exp Ther (1994) 268: 417-26 [PMID:8301582]
D3 receptor in Human [GtoPdb: 216] [UniProtKB: P35462]
GtoPdb - - 8.96 pKi 1.1 nM Ki J Pharmacol Exp Ther (1994) 268: 417-26 [PMID:8301582]
D5 receptor in Human [GtoPdb: 218] [UniProtKB: P21918]
GtoPdb - - 8.1 pKi - - - Nature (1991) 350: 614-9 [PMID:1826762]

ChEMBL data shown on this page come from version 28:

Gaulton A, Hersey A, Nowotka M, Bento AP, Chambers J, Mendez D, Mutowo P, Atkinson F, Bellis LJ, CibriƔn-Uhalte E, Davies M, Dedman N, Karlsson A, MagariƱos MP, Overington JP, Papadatos G, Smit I, Leach AR. (2017) 'The ChEMBL database in 2017.' Nucleic Acids Res., 45(D1). DOI: 10.1093/nar/gkw1074. [PMCID:5210557]