Detailed information for compound 546510

Basic information

Technical information
  • TDR Targets ID: 546510
  • Name: (1-butyl-4-piperidyl)methyl 5-amino-6-chloro- 2,3-dihydro-1,4-benzodioxine-8-carboxylate hy drochloride
  • MW: 419.343 | Formula: C19H28Cl2N2O4
  • H donors: 1 H acceptors: 1 LogP: 4.27 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCN1CCC(CC1)COC(=O)c1cc(Cl)c(c2c1OCCO2)N.Cl
  • InChi: 1S/C19H27ClN2O4.ClH/c1-2-3-6-22-7-4-13(5-8-22)12-26-19(23)14-11-15(20)16(21)18-17(14)24-9-10-25-18;/h11,13H,2-10,12,21H2,1H3;1H
  • InChiKey: YEQGKAOSYSXEPU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-amino-6-chloro-2,3-dihydro-1,4-benzodioxine-8-carboxylic acid (1-butyl-4-piperidinyl)methyl ester hydrochloride
  • (1-butylpiperidin-4-yl)methyl 5-azanyl-6-chloro-2,3-dihydro-1,4-benzodioxine-8-carboxylate hydrochloride
  • 5-amino-6-chloro-2,3-dihydro-1,4-benzodioxine-8-carboxylic acid (1-butyl-4-piperidyl)methyl ester hydrochloride
  • (1-butylpiperidin-4-yl)methyl 5-amino-6-chloro-2,3-dihydro-1,4-benzodioxine-8-carboxylate hydrochloride
  • SB 204070A
  • 148688-01-1
  • (1-Butyl-4-piperidinyl)methyl 8-amino-7-chloro-1,4-benzodioxane-5-carboxylate hydrochloride
  • 1,4-Benzodioxin-5-carboxylic acid, 8-amino-7-chloro-2,3-dihydro-, (1-butyl-4-piperidinyl)methyl ester, monohydrochloride
  • SB 204070
  • SB-204070A
  • EU-0101048
  • (1-Butyl-4-piperidinyl)methyl-8-amino-7-chloro-1,4-benzodioxane-5-carboxylate hydrochloride
  • S3313_SIGMA
  • SB-204070 hydrochloride

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens neuropeptide S receptor 1 Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens thyroid hormone receptor, beta Starlite/ChEMBL No references
Homo sapiens potassium voltage-gated channel, subfamily H (eag-related), member 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma mansoni thyroid hormone receptor Get druggable targets OG5_134830 All targets in OG5_134830
Echinococcus multilocularis neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128858 All targets in OG5_128858
Trichomonas vaginalis voltage and ligand gated potassium channel, putative Get druggable targets OG5_128858 All targets in OG5_128858
Schistosoma japonicum ko:K08362 nuclear receptor, subfamily 1, group A, member 2, putative Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma japonicum Thyroid hormone receptor alpha, putative Get druggable targets OG5_134830 All targets in OG5_134830
Echinococcus granulosus potassium voltage gated channel subfamily H Get druggable targets OG5_128858 All targets in OG5_128858
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma japonicum Thyroid hormone receptor alpha, putative Get druggable targets OG5_134830 All targets in OG5_134830
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus multilocularis potassium voltage gated channel subfamily H Get druggable targets OG5_128858 All targets in OG5_128858
Trichomonas vaginalis voltage and ligand gated potassium channel, putative Get druggable targets OG5_128858 All targets in OG5_128858
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog Get druggable targets OG5_128858 All targets in OG5_128858
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma mansoni voltage-gated potassium channel Get druggable targets OG5_128858 All targets in OG5_128858
Schistosoma japonicum expressed protein Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma japonicum ko:K04910 potassium voltage-gated channel, Eag-related subfamily H, member 7, putative Get druggable targets OG5_128858 All targets in OG5_128858
Schistosoma mansoni thyroid hormone receptor Get druggable targets OG5_134830 All targets in OG5_134830
Echinococcus granulosus neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Echinococcus multilocularis neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Schistosoma mansoni voltage-gated potassium channel Get druggable targets OG5_128858 All targets in OG5_128858
Echinococcus granulosus neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Schistosoma japonicum ko:K04910 potassium voltage-gated channel, Eag-related subfamily H, member 7, putative Get druggable targets OG5_128858 All targets in OG5_128858
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Get druggable targets OG5_136011 All targets in OG5_136011
Schistosoma mansoni hypothetical protein Get druggable targets OG5_134830 All targets in OG5_134830
Echinococcus multilocularis thyroid hormone receptor alpha Get druggable targets OG5_134830 All targets in OG5_134830
Loa Loa (eye worm) voltage and ligand gated potassium channel Get druggable targets OG5_128858 All targets in OG5_128858
Schistosoma japonicum Potassium voltage-gated channel subfamily H member 2, putative Get druggable targets OG5_128858 All targets in OG5_128858
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi photoreceptor-specific nuclear receptor thyroid hormone receptor, beta 461 aa 414 aa 24.6 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.00723844 0.00877524 0.00877524
Echinococcus multilocularis glycine receptor subunit alpha 1 0.00723844 0.00877524 0.00877524
Echinococcus granulosus membrane bound acyltransferase:hhat 0.0149625 0.0360387 0.0360387
Leishmania major glycerol uptake protein, putative 0.0149625 0.0360387 0.5
Echinococcus granulosus RNA directed DNA polymerase 0.0123661 0.0268745 0.0268745
Brugia malayi Cation transporter family protein 0.00723844 0.00877524 0.00877524
Loa Loa (eye worm) hypothetical protein 0.00723844 0.00877524 0.00877524
Trypanosoma cruzi GUP1, putative 0.0149625 0.0360387 0.5
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0149625 0.0360387 0.0360387
Echinococcus granulosus glycine receptor subunit alpha 1 0.00723844 0.00877524 0.00877524
Echinococcus granulosus glycine receptor subunit alpha 1 0.00723844 0.00877524 0.00877524
Loa Loa (eye worm) hypothetical protein 0.00723844 0.00877524 0.00877524
Trypanosoma cruzi glycerol uptake protein, putative 0.0149625 0.0360387 0.5
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.00723844 0.00877524 0.00877524
Loa Loa (eye worm) hypothetical protein 0.0149625 0.0360387 0.0360387
Onchocerca volvulus 0.0114543 0.023656 0.394788
Loa Loa (eye worm) ACC-1 protein 0.00723844 0.00877524 0.00877524
Brugia malayi Cation transporter family protein 0.00723844 0.00877524 0.00877524
Entamoeba histolytica vacuolar protein sorting 26 0.0149625 0.0360387 0.5
Echinococcus granulosus glycine receptor subunit beta 0.00723844 0.00877524 0.00877524
Brugia malayi excitatory GABA receptor EXP-1A 0.00723844 0.00877524 0.00877524
Loa Loa (eye worm) matrixin family protein 0.0179173 0.0464683 0.0464683
Mycobacterium ulcerans hydrolase 0.00983896 0.0179543 0.5
Echinococcus multilocularis sterol O acyltransferase 1 0.0149625 0.0360387 0.0360387
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.00723844 0.00877524 0.00877524
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0149625 0.0360387 0.0360387
Loa Loa (eye worm) hypothetical protein 0.00723844 0.00877524 0.00877524
Echinococcus granulosus biogenic amine 5HT receptor 0.0138076 0.0319623 0.0319623
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.00723844 0.00877524 0.00877524
Schistosoma mansoni serine/threonine protein kinase 0.0171185 0.0436488 0.0436488
Echinococcus granulosus zinc finger protein 0.2731 0.947187 0.947187
Loa Loa (eye worm) hypothetical protein 0.00723844 0.00877524 0.00877524
Echinococcus multilocularis serotonin receptor 0.0138076 0.0319623 0.0319623
Loa Loa (eye worm) hypothetical protein 0.00723844 0.00877524 0.00877524
Echinococcus multilocularis Membrane bound O acyl transferase, MBOAT 0.0149625 0.0360387 0.0360387
Loa Loa (eye worm) hypothetical protein 0.0149625 0.0360387 0.0360387
Plasmodium vivax diacylglycerol O-acyltransferase, putative 0.0149625 0.0360387 0.5
Loa Loa (eye worm) hypothetical protein 0.00723844 0.00877524 0.00877524
Brugia malayi MBOAT family protein 0.0149625 0.0360387 0.0360387
Echinococcus multilocularis glycine receptor subunit beta 0.00723844 0.00877524 0.00877524
Schistosoma mansoni diacylglycerol O-acyltransferase 1 0.0149625 0.0360387 0.0360387
Schistosoma mansoni hypothetical protein 0.0114543 0.023656 0.023656
Loa Loa (eye worm) hypothetical protein 0.00723844 0.00877524 0.00877524
Echinococcus granulosus nAChR subunit 0.00723844 0.00877524 0.00877524
Loa Loa (eye worm) ACC-1 protein 0.00723844 0.00877524 0.00877524
Toxoplasma gondii hypothetical protein 0.0149625 0.0360387 0.5
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0149625 0.0360387 0.5
Echinococcus multilocularis RNA directed DNA polymerase 0.0123661 0.0268745 0.0268745
Brugia malayi Hhat protein 0.0149625 0.0360387 0.0360387
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.00723844 0.00877524 0.00877524
Plasmodium falciparum diacylglycerol O-acyltransferase 0.0149625 0.0360387 0.5
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.00723844 0.00877524 0.00877524
Echinococcus multilocularis telomerase reverse transcriptase subunit 0.0123661 0.0268745 0.0268745
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0293716 0.0868986 0.0868986
Echinococcus granulosus glycine receptor subunit beta 0.00723844 0.00877524 0.00877524
Loa Loa (eye worm) hypothetical protein 0.00807831 0.0117397 0.0117397
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.00723844 0.00877524 0.00877524
Mycobacterium leprae PROBABLE HYDROLASE 0.00983896 0.0179543 0.5
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.00723844 0.00877524 0.00877524
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.00723844 0.00877524 0.00877524
Trypanosoma brucei glycerol uptake protein, putative 0.0149625 0.0360387 0.5
Loa Loa (eye worm) hypothetical protein 0.00723844 0.00877524 0.00877524
Loa Loa (eye worm) MBOAT family protein 0.0149625 0.0360387 0.0360387
Brugia malayi MBOAT family protein 0.0149625 0.0360387 0.0360387
Schistosoma mansoni leukocyte receptor cluster (lrc) member 4 protein 0.0149625 0.0360387 0.0360387
Schistosoma mansoni nAChR subunit 0.00723844 0.00877524 0.00877524
Echinococcus multilocularis glycine receptor subunit alpha 1 0.00723844 0.00877524 0.00877524
Schistosoma mansoni nAChR subunit 0.00723844 0.00877524 0.00877524
Brugia malayi Hemopexin family protein 0.0114543 0.023656 0.023656
Echinococcus granulosus o acyltransferase membrane bound domain 0.0149625 0.0360387 0.0360387
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.00723844 0.00877524 0.00877524
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.00807831 0.0117397 0.0117397
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.00983896 0.0179543 0.0179543
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0149625 0.0360387 0.0360387
Schistosoma mansoni nAChR subunit 0.00723844 0.00877524 0.00877524
Loa Loa (eye worm) hypothetical protein 0.0142617 0.0335652 0.0335652
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0149625 0.0360387 0.5
Loa Loa (eye worm) LGC-31 protein 0.00723844 0.00877524 0.00877524
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.00723844 0.00877524 0.00877524
Brugia malayi Matrixin family protein 0.0195326 0.05217 0.05217
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.00723844 0.00877524 0.00877524
Treponema pallidum alginate O-acetylation protein (algI) 0.0149625 0.0360387 0.5
Onchocerca volvulus Matrix metalloproteinase homolog 0.0179173 0.0464683 1
Schistosoma mansoni biogenic amine (5HT) receptor 0.0138076 0.0319623 0.0319623
Brugia malayi Matrixin family protein 0.00807831 0.0117397 0.0117397
Loa Loa (eye worm) hypothetical protein 0.0138076 0.0319623 0.0319623
Schistosoma mansoni membrane-bound acyltransferase/hhat 0.0149625 0.0360387 0.0360387
Loa Loa (eye worm) hypothetical protein 0.00983896 0.0179543 0.0179543
Loa Loa (eye worm) hypothetical protein 0.00723844 0.00877524 0.00877524
Trichomonas vaginalis transmembrane protein nessy, putative 0.0149625 0.0360387 0.5
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.00723844 0.00877524 0.00877524
Toxoplasma gondii acyl-CoA:cholesterol acyltransferase alpha ACAT1-alpha 0.0149625 0.0360387 0.5
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.00723844 0.00877524 0.00877524
Loa Loa (eye worm) matrixin family protein 0.0195326 0.05217 0.05217
Schistosoma mansoni sterol O-acyltransferase 1 0.0149625 0.0360387 0.0360387
Leishmania major glycerol uptake protein, putative 0.0149625 0.0360387 0.5
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.00723844 0.00877524 0.00877524
Echinococcus multilocularis glycine receptor subunit alpha 1 0.00723844 0.00877524 0.00877524
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.00983896 0.0179543 0.5
Loa Loa (eye worm) hypothetical protein 0.00723844 0.00877524 0.00877524
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.00723844 0.00877524 0.00877524
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.00723844 0.00877524 0.00877524
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.00723844 0.00877524 0.00877524
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.00723844 0.00877524 0.00877524
Loa Loa (eye worm) hypothetical protein 0.00723844 0.00877524 0.00877524
Entamoeba histolytica hypothetical protein 0.0149625 0.0360387 0.5
Trypanosoma cruzi glycerol uptake protein, putative 0.0149625 0.0360387 0.5
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.00723844 0.00877524 0.00877524
Trypanosoma brucei glycerol uptake protein, putative 0.0149625 0.0360387 0.5
Echinococcus multilocularis serotonin receptor 0.0138076 0.0319623 0.0319623
Echinococcus granulosus protein cysteine N palmitoyltransferase 0.288063 1 1
Schistosoma mansoni hypothetical protein 0.0149625 0.0360387 0.0360387
Loa Loa (eye worm) hypothetical protein 0.0149625 0.0360387 0.0360387
Leishmania major glycerol uptake protein, putative 0.0149625 0.0360387 0.5
Leishmania major glycerol uptake protein, putative 0.0149625 0.0360387 0.5
Echinococcus granulosus lysophospholipid acyltransferase 7 0.0149625 0.0360387 0.0360387
Echinococcus granulosus diacylglycerol O acyltransferase 1 0.0149625 0.0360387 0.0360387
Echinococcus multilocularis protein cysteine N palmitoyltransferase 0.288063 1 1
Loa Loa (eye worm) hypothetical protein 0.0149625 0.0360387 0.0360387
Echinococcus multilocularis glycine receptor subunit beta 0.00723844 0.00877524 0.00877524
Trichomonas vaginalis conserved hypothetical protein 0.0149625 0.0360387 0.5
Leishmania major glycerol uptake protein, putative 0.0149625 0.0360387 0.5
Loa Loa (eye worm) hypothetical protein 0.00723844 0.00877524 0.00877524
Echinococcus granulosus o acyltransferase membrane bound domain 0.0149625 0.0360387 0.0360387
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.00723844 0.00877524 0.00877524
Schistosoma mansoni nAChR subunit 0.00723844 0.00877524 0.00877524
Onchocerca volvulus 0.00807831 0.0117397 0.0786475
Brugia malayi MBOAT family protein 0.288063 1 1
Brugia malayi Serotonin receptor 0.0589999 0.191478 0.191478
Schistosoma mansoni nAChR subunit 0.00723844 0.00877524 0.00877524
Trichomonas vaginalis conserved hypothetical protein 0.0149625 0.0360387 0.5
Loa Loa (eye worm) MBOAT family protein 0.288063 1 1
Loa Loa (eye worm) hypothetical protein 0.00723844 0.00877524 0.00877524
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.00723844 0.00877524 0.00877524
Onchocerca volvulus Matrilysin homolog 0.0179173 0.0464683 1
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.00723844 0.00877524 0.00877524
Onchocerca volvulus Matrilysin homolog 0.00807831 0.0117397 0.0786475
Loa Loa (eye worm) hypothetical protein 0.0312468 0.0935175 0.0935175
Loa Loa (eye worm) AGC/PKC/ALPHA protein kinase 0.0125998 0.0276993 0.0276993
Brugia malayi Protein kinase c protein 2 0.0144954 0.03439 0.03439
Loa Loa (eye worm) hypothetical protein 0.00723844 0.00877524 0.00877524
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.00723844 0.00877524 0.00877524
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.00723844 0.00877524 0.00877524
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.00723844 0.00877524 0.00877524
Echinococcus multilocularis diacylglycerol O acyltransferase 1 0.0149625 0.0360387 0.0360387
Echinococcus granulosus o acyltransferase membrane bound domain 0.0149625 0.0360387 0.0360387
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.00723844 0.00877524 0.00877524
Brugia malayi Matrixin family protein 0.00807831 0.0117397 0.0117397
Loa Loa (eye worm) hypothetical protein 0.00807831 0.0117397 0.0117397
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.00723844 0.00877524 0.00877524
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.00723844 0.00877524 0.00877524
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.00723844 0.00877524 0.00877524
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.00723844 0.00877524 0.00877524
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.00723844 0.00877524 0.00877524
Brugia malayi MBOAT family protein 0.0149625 0.0360387 0.0360387
Echinococcus multilocularis lysophospholipid acyltransferase 7 0.0149625 0.0360387 0.0360387
Schistosoma mansoni serine/threonine protein kinase 0.0171185 0.0436488 0.0436488
Leishmania major hypothetical protein, conserved 0.0149625 0.0360387 0.5
Schistosoma mansoni nAChR subunit 0.00723844 0.00877524 0.00877524
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0171185 0.0436488 0.0436488
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.00723844 0.00877524 0.00877524
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.00723844 0.00877524 0.00877524
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.00723844 0.00877524 0.00877524
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0149625 0.0360387 0.5
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.0293716 0.0868986 0.0868986
Echinococcus granulosus Membrane bound O acyl transferase MBOAT 0.0149625 0.0360387 0.0360387
Brugia malayi diacylglycerol acyltransferase 0.0149625 0.0360387 0.0360387
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0149625 0.0360387 0.0360387
Echinococcus granulosus Protein kinase C brain isozyme 0.0171185 0.0436488 0.0436488
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.00723844 0.00877524 0.00877524
Loa Loa (eye worm) hypothetical protein 0.00723844 0.00877524 0.00877524
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0149625 0.0360387 0.0360387
Loa Loa (eye worm) hhat protein 0.0149625 0.0360387 0.0360387
Onchocerca volvulus 0.0149625 0.0360387 0.723303
Echinococcus multilocularis membrane bound acyltransferase:hhat 0.0149625 0.0360387 0.0360387
Loa Loa (eye worm) MBOAT family protein 0.0149625 0.0360387 0.0360387
Brugia malayi Cation transporter family protein 0.00723844 0.00877524 0.00877524
Echinococcus multilocularis serine threonine protein kinase 0.0152229 0.0369581 0.0369581
Loa Loa (eye worm) hypothetical protein 0.00723844 0.00877524 0.00877524
Echinococcus granulosus protein kinase C gamma type 0.0152229 0.0369581 0.0369581
Trichomonas vaginalis conserved hypothetical protein 0.0149625 0.0360387 0.5
Schistosoma mansoni zinc finger protein 0.288063 1 1
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.00723844 0.00877524 0.00877524
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.00723844 0.00877524 0.00877524
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.00723844 0.00877524 0.00877524
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.00723844 0.00877524 0.00877524
Loa Loa (eye worm) hypothetical protein 0.00723844 0.00877524 0.00877524
Schistosoma mansoni nAChR subunit 0.00723844 0.00877524 0.00877524
Echinococcus multilocularis zinc finger protein 0.2731 0.947187 0.947187
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.00723844 0.00877524 0.00877524
Trichomonas vaginalis porcupine, putative 0.0149625 0.0360387 0.5
Loa Loa (eye worm) membrane bound O-acyltransferase domain containing 1 0.0149625 0.0360387 0.0360387
Entamoeba histolytica hypothetical protein, conserved 0.0149625 0.0360387 0.5
Brugia malayi Matrixin family protein 0.00807831 0.0117397 0.0117397
Loa Loa (eye worm) hhat protein 0.0149625 0.0360387 0.0360387
Echinococcus granulosus glycine receptor subunit alpha 1 0.00723844 0.00877524 0.00877524
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.00723844 0.00877524 0.00877524
Brugia malayi MBOAT family protein 0.0149625 0.0360387 0.0360387
Trypanosoma cruzi glycerol uptake protein, putative 0.0149625 0.0360387 0.5
Echinococcus multilocularis nAChR subunit 0.00723844 0.00877524 0.00877524
Loa Loa (eye worm) hypothetical protein 0.00807831 0.0117397 0.0117397
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0149625 0.0360387 0.0360387
Loa Loa (eye worm) hypothetical protein 0.0123661 0.0268745 0.0268745
Loa Loa (eye worm) matrix metalloproteinase 0.00807831 0.0117397 0.0117397
Loa Loa (eye worm) hypothetical protein 0.00723844 0.00877524 0.00877524
Schistosoma mansoni matrix metallopeptidase-9 (M10 family) 0.0085271 0.0133238 0.0133238
Echinococcus granulosus sterol O acyltransferase 1 0.0149625 0.0360387 0.0360387
Trypanosoma cruzi GUP1, putative 0.0149625 0.0360387 0.5
Brugia malayi Matrixin family protein 0.00807831 0.0117397 0.0117397
Loa Loa (eye worm) hypothetical protein 0.0138076 0.0319623 0.0319623
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.00723844 0.00877524 0.00877524
Loa Loa (eye worm) hypothetical protein 0.00723844 0.00877524 0.00877524
Toxoplasma gondii acyl-CoA:diacylglycerol acyltransferase 1-related enzyme 0.0149625 0.0360387 0.5
Loa Loa (eye worm) diacylglycerol acyltransferase 0.0149625 0.0360387 0.0360387

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = -5.1 Antiplasmodial activity against Plasmodium falciparum 7G8 after 72 hrs by SYBR green assay ChEMBL. 19734910
IC50 (functional) = -5.1 Antiplasmodial activity against Plasmodium falciparum W2 after 72 hrs by SYBR green assay ChEMBL. 19734910
IC50 (functional) = -5 Antiplasmodial activity against Plasmodium falciparum 3D7 after 72 hrs by SYBR green assay ChEMBL. 19734910
IC50 (functional) = -5 Antiplasmodial activity against Plasmodium falciparum HB3 after 72 hrs by SYBR green assay ChEMBL. 19734910
IC50 (functional) = -4.9 Antiplasmodial activity against Plasmodium falciparum GB4 after 72 hrs by SYBR green assay ChEMBL. 19734910
IC50 (functional) = -4.8 Antiplasmodial activity against Plasmodium falciparum D10 after 72 hrs by SYBR green assay ChEMBL. 19734910
IC50 (functional) = -4.8 Antiplasmodial activity against Plasmodium falciparum Dd2 after 72 hrs by SYBR green assay ChEMBL. 19734910
Potency (functional) = 0.0251 um PUBCHEM_BIOASSAY: qHTS Assay for Antagonists of the Neuropeptide S Receptor: cAMP Signal Transduction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.2387 uM PUBCHEM_BIOASSAY: qHTS Assay for Small Molecule Inhibitors of the Human hERG Channel Activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.5481 um PUBCHEM_BIOASSAY: Total Fluorescence Counterscreen for Inhibitors of the Interaction of Thyroid Hormone Receptor and Steroid Receptor Coregulator 2. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.0795 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 18.3564 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 18.3564 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Quantitative high throughput screen for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: Validation of Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) = 95.2834 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Human Peripheral Myelin Protein 22 (PMP22) Expression/Activity. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23 19734910

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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