TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 357.49 | Formula: C21H31N3O2
H donors: 1 H acceptors: 2 LogP: 2.52 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CN(C(=O)CC1N(CCNC1=O)Cc1ccc(cc1)C)C1CCCCC1
InChi: 1S/C21H31N3O2/c1-16-8-10-17(11-9-16)15-24-13-12-22-21(26)19(24)14-20(25)23(2)18-6-4-3-5-7-18/h8-11,18-19H,3-7,12-15H2,1-2H3,(H,22,26)
InChiKey: MAAPUPAXCKIBFI-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0048	0.0386	0.0431
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0436	0.0486
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0258	0.0288
Plasmodium vivax	SET domain protein, putative	0.0031	0.0182	0.0174
Echinococcus granulosus	zinc finger protein	0.0019	0.0048	0.0053
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0027	0.003
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0015	0.0005	0.0006
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0094	0.0105
Schistosoma mansoni	lamin	0.0028	0.0148	0.0185
Mycobacterium tuberculosis	Probable lipase LipE	0.0037	0.0255	0.0942
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0023	0.0094	0.0307
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0037	0.0255	0.0285
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0094	0.0449
Onchocerca volvulus		0.0037	0.0255	0.0163
Schistosoma mansoni	hypothetical protein	0.002	0.006	0.0075
Schistosoma mansoni	hypothetical protein	0.0282	0.3072	0.384
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0094	0.0449
Loa Loa (eye worm)	FAT-3 protein	0.009	0.0861	0.096
Echinococcus multilocularis	Peptidase M, neutral zinc metallopeptidases, zinc binding site	0.009	0.0861	0.0962
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0041	0.0301	0.0336
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0301	0.3289	1
Loa Loa (eye worm)	hypothetical protein	0.023	0.2473	0.2758
Trypanosoma cruzi	fatty acid desaturase, putative	0.0885	1	1
Echinococcus granulosus	Niemann Pick C1 protein	0.0137	0.1402	0.1748
Echinococcus granulosus	Protein patched homolog 1	0.0041	0.0301	0.037
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0237	0.2552	1
Echinococcus multilocularis	musashi	0.0028	0.0148	0.0161
Onchocerca volvulus		0.0885	1	1
Brugia malayi	Pre-SET motif family protein	0.0214	0.2293	0.2557
Brugia malayi	STAT protein, DNA binding domain containing protein	0.0128	0.13	0.1449
Trypanosoma cruzi	fatty acid desaturase, putative	0.009	0.0861	0.0861
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0255	0.0285
Giardia lamblia	Fructose-bisphosphate aldolase	0.0301	0.3289	0.5
Schistosoma mansoni	survival motor neuron protein	0.0047	0.0368	0.046
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0094	0.0094
Brugia malayi	acyl-CoA desaturase	0.0795	0.8968	1
Mycobacterium ulcerans	linoleoyl-CoA desaturase, DesA3	0.009	0.0861	0.5587
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0094	0.0105
Mycobacterium tuberculosis	Conserved protein	0.0037	0.0255	0.0942
Echinococcus granulosus	methyl CpG binding domain protein 2	0.0017	0.002	0.0018
Trypanosoma brucei	fatty acid desaturase, putative	0.0885	1	1
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0094	0.0105
Loa Loa (eye worm)	acyl-CoA desaturase	0.0795	0.8968	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0027	0.003
Toxoplasma gondii	sphingolipid delta 4 desaturase/c-4 hydroxylase protein des2 family protein	0.009	0.0861	1
Onchocerca volvulus		0.0885	1	1
Echinococcus granulosus	survival motor neuron protein 1	0.023	0.2473	0.3087
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0022	0.0081	0.0085
Trypanosoma cruzi	fatty acid desaturase, putative	0.009	0.0861	0.0861
Schistosoma mansoni	hypothetical protein	0.0015	0.0005	0.0007
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0094	0.0094
Brugia malayi	Intermediate filament tail domain containing protein	0.0028	0.0148	0.0165
Trypanosoma brucei	cytochrome b5-dependent oleate desaturase	0.009	0.0861	0.0861
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.0255	0.0255
Mycobacterium tuberculosis	Probable hydrolase	0.0037	0.0255	0.0942
Onchocerca volvulus		0.0244	0.2634	0.2564
Echinococcus granulosus	intermediate filament protein	0.0028	0.0148	0.0179
Echinococcus granulosus	expressed conserved protein	0.009	0.0863	0.1073
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.0183	0.1931	0.2409
Echinococcus multilocularis	SAM and MBT domain containing protein	0.0046	0.0362	0.0402
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0301	0.3289	1
Onchocerca volvulus		0.0031	0.0182	0.0089
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0147	0.1519	1
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0005	0.0006
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0092	0.0882	0.0986
Treponema pallidum	fructose-bisphosphate aldolase	0.0301	0.3289	0.5
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0031	0.0182	0.0199
Brugia malayi	CHE-14 protein	0.0041	0.0301	0.0336
Loa Loa (eye worm)	STAT protein	0.0128	0.13	0.1449
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0255	0.0285
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0027	0.003
Loa Loa (eye worm)	hypothetical protein	0.009	0.0861	0.096
Schistosoma mansoni	fatty acid desaturase	0.009	0.0861	0.1076
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0092	0.0882	0.1103
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0092	0.0882	0.1103
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0386	0.0431
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0094	0.0105
Brugia malayi	mbt repeat family protein	0.0046	0.0362	0.0404
Trypanosoma cruzi	fatty acid desaturase, putative	0.0795	0.8968	0.8968
Schistosoma mansoni	intermediate filament proteins	0.0028	0.0148	0.0185
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0092	0.0882	0.1097
Loa Loa (eye worm)	fatty acid desaturase	0.009	0.0861	0.096
Brugia malayi	PHD-finger family protein	0.0024	0.0108	0.012
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0023	0.0094	0.0449
Brugia malayi	hypothetical protein	0.023	0.2473	0.2758
Mycobacterium tuberculosis	Probable conserved membrane protein	0.009	0.0861	0.333
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.0046	0.0362	0.0453
Echinococcus multilocularis	zinc finger protein	0.0019	0.0048	0.0048
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0028	0.0148	0.0165
Schistosoma mansoni	lamin	0.0028	0.0148	0.0185
Mycobacterium ulcerans	hypothetical protein	0.0037	0.0255	0.1529
Echinococcus granulosus	Niemann Pick C1 protein	0.0096	0.093	0.1157
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0255	0.0285
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0301	0.3289	1
Plasmodium falciparum	stearoyl-CoA desaturase	0.0795	0.8968	1
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0035	0.0231	0.0282
Echinococcus multilocularis	Peptidase M, neutral zinc metallopeptidases, zinc binding site	0.009	0.0861	0.0962
Trypanosoma cruzi	delta-4 fatty acid desaturase, putative	0.009	0.0861	0.0861
Onchocerca volvulus	Polycomb protein Sfmbt homolog	0.0046	0.0362	0.0271
Leishmania major	delta-5 fatty acid desaturase	0.009	0.0861	0.0861
Schistosoma mansoni	zinc finger protein	0.0019	0.0048	0.006
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0147	0.1519	0.5927
Mycobacterium ulcerans	hypothetical protein	0.0023	0.0094	0.0449
Echinococcus multilocularis	polycomb protein SCMH1	0.0046	0.0362	0.0402
Leishmania major	hypothetical protein, conserved	0.0037	0.0255	0.0255
Echinococcus granulosus	Sphingolipid delta4 desaturase DES1	0.009	0.0861	0.107
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0373	0.0416
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0214	0.2293	0.2557
Leishmania major	fatty acid desaturase, putative	0.009	0.0861	0.0861
Mycobacterium leprae	conserved hypothetical protein	0.0037	0.0255	0.1131
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0015	0.0005	0.0006
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0047	0.0373	0.0466
Echinococcus multilocularis	microtubule associated protein 2	0.0711	0.8	0.8991
Schistosoma mansoni	sex comb on midleg homolog	0.0046	0.0362	0.0453
Trypanosoma brucei	delta-6 fatty acid desaturase, putative	0.009	0.0861	0.0861
Leishmania major	delta-4 fatty acid desaturase	0.009	0.0861	0.0861
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0094	0.0105
Leishmania major	fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative	0.009	0.0861	0.0861
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0048	0.0386	0.0431
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0037	0.0255	0.0942
Loa Loa (eye worm)	mbt repeat family protein	0.0046	0.0362	0.0404
Echinococcus multilocularis	Fatty acid desaturase, type 1	0.009	0.0861	0.0962
Mycobacterium tuberculosis	Probable lipase LipD	0.0037	0.0255	0.0942
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0022	0.0081	0.0101
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0023	0.0094	0.0449
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0362	0.0404
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0255	0.0285
Schistosoma mansoni	hypothetical protein	0.0033	0.021	0.0263
Leishmania major	delta-12 fatty acid desaturase	0.009	0.0861	0.0861
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0092	0.0882	0.0986
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0301	0.3289	1
Leishmania major	fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative	0.009	0.0861	0.0861
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0306	0.0341
Onchocerca volvulus		0.0046	0.0362	0.0271
Brugia malayi	Delta5 fatty acid desaturase	0.009	0.0861	0.096
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0053	0.0436	0.0545
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.0255	0.0319
Trypanosoma brucei	sphingolipid delta 4 desaturase, putative	0.009	0.0861	0.0861
Onchocerca volvulus		0.0028	0.0148	0.0055
Trypanosoma cruzi	delta-4 fatty acid desaturase, putative	0.009	0.0861	0.0861
Plasmodium vivax	hypothetical protein, conserved	0.0037	0.0255	0.0255
Loa Loa (eye worm)	hypothetical protein	0.0033	0.021	0.0234
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.0255	0.0255
Echinococcus multilocularis	methyl CpG binding domain protein 2	0.0017	0.002	0.0016
Echinococcus multilocularis	expressed conserved protein	0.009	0.0863	0.0965
Loa Loa (eye worm)	hypothetical protein	0.004	0.0284	0.0317
Schistosoma mansoni	hypothetical protein	0.004	0.0284	0.0355
Loa Loa (eye worm)	hypothetical protein	0.0096	0.093	0.1037
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0031	0.0182	0.0228
Brugia malayi	beta-lactamase family protein	0.0037	0.0255	0.0285
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0301	0.3289	1
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0301	0.3289	1
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0255	0.0285
Echinococcus granulosus	histone lysine methyltransferase setb	0.0047	0.0373	0.046
Trypanosoma cruzi	fatty acid desaturase, putative	0.0795	0.8968	0.8968
Echinococcus multilocularis	lamin	0.0028	0.0148	0.0161
Onchocerca volvulus		0.0047	0.0368	0.0277
Echinococcus multilocularis	Niemann Pick C1 protein	0.0096	0.093	0.104
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0301	0.3289	1
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0017	0.0027	0.0043
Leishmania major	fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative	0.009	0.0861	0.0861
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0023	0.0094	0.0307
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0092	0.0882	0.1097
Mycobacterium tuberculosis	Possible electron transfer protein FdxB	0.009	0.0861	0.333
Onchocerca volvulus		0.0037	0.0255	0.0163
Brugia malayi	Bromodomain containing protein	0.0037	0.0257	0.0287
Loa Loa (eye worm)	fatty acid desaturase	0.009	0.0861	0.096
Trypanosoma cruzi	sphingolipid delta 4 desaturase, putative	0.009	0.0861	0.0861
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0017	0.002	0.0025
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.003	0.0169	0.0205
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0017	0.002	0.0025
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.0053	0.0436	0.0539
Echinococcus multilocularis	sterol regulatory element binding protein	0.0041	0.0301	0.0333
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.0053	0.0436	0.0485
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0035	0.0231	0.0254
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0037	0.0255	0.0285
Schistosoma mansoni	hypothetical protein	0.0015	0.0005	0.0007
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0053	0.0436	0.0486
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0047	0.0373	0.0414
Onchocerca volvulus		0.0028	0.0148	0.0055
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0037	0.0255	0.0942
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0142	0.0159
Brugia malayi	intermediate filament protein	0.0028	0.0148	0.0165
Trypanosoma brucei	delta-4 fatty acid desaturase	0.009	0.0861	0.0861
Mycobacterium ulcerans	hypothetical protein	0.009	0.0861	0.5587
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0301	0.0336
Loa Loa (eye worm)	hypothetical protein	0.005	0.0408	0.0455
Toxoplasma gondii	ABC1 family protein	0.0037	0.0255	0.1074
Mycobacterium ulcerans	hypothetical protein	0.009	0.0861	0.5587
Echinococcus multilocularis	Niemann Pick C1 protein	0.0137	0.1402	0.1571
Loa Loa (eye worm)	MBCTL1	0.0053	0.0436	0.0486
Leishmania major	delta-6 fatty acid desaturase	0.009	0.0861	0.0861
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0053	0.0436	0.0485
Echinococcus granulosus	lamin dm0	0.0028	0.0148	0.0179
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0027	0.003
Echinococcus multilocularis	lamin dm0	0.0028	0.0148	0.0161
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0301	0.3289	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0094	0.0449
Leishmania major	fatty-acid desaturase, putative	0.0885	1	1
Echinococcus granulosus	sterol regulatory element binding protein	0.0041	0.0301	0.037
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0301	0.3289	1
Echinococcus granulosus	Fatty acid desaturase type 1	0.009	0.0861	0.107
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0097	0.0947	0.1184
Echinococcus granulosus	lamin	0.0028	0.0148	0.0179
Brugia malayi	Latrophilin receptor protein 2	0.0015	0.0005	0.0006
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.021	0.0234
Mycobacterium ulcerans	linoleoyl-CoA desaturase, DesA3_2	0.009	0.0861	0.5587
Echinococcus multilocularis	protein patched	0.0041	0.0301	0.0333
Schistosoma mansoni	hypothetical protein	0.0015	0.0005	0.0007
Schistosoma mansoni	hypothetical protein	0.0015	0.0005	0.0007
Mycobacterium ulcerans	beta-lactamase	0.0037	0.0255	0.1529
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0047	0.0373	0.0466
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0047	0.0368	0.0411
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0096	0.093	0.2616
Mycobacterium leprae	Probable lipase LipE	0.0037	0.0255	0.1131
Mycobacterium tuberculosis	Conserved protein	0.0037	0.0255	0.0942
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0148	0.0165
Leishmania major	fatty acid desaturase, putative	0.009	0.0861	0.0861
Brugia malayi	Pre-SET motif family protein	0.0031	0.0182	0.0203
Trichomonas vaginalis	conserved hypothetical protein	0.0041	0.0301	0.0152
Schistosoma mansoni	sex comb on midleg homolog	0.0046	0.0362	0.0453
Brugia malayi	Fatty acid desaturase family protein	0.009	0.0861	0.096
Loa Loa (eye worm)	intermediate filament protein	0.0028	0.0148	0.0165
Loa Loa (eye worm)	bromodomain containing protein	0.0017	0.0026	0.003
Onchocerca volvulus		0.009	0.0861	0.0774
Schistosoma mansoni	hypothetical protein	0.004	0.0284	0.0355
Brugia malayi	mbt repeat family protein	0.0046	0.0362	0.0404
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.0255	0.0319
Mycobacterium ulcerans	electron transfer protein FdxB	0.009	0.0861	0.5587
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.0182	0.0228
Mycobacterium tuberculosis	Probable transmembrane alkane 1-monooxygenase AlkB (alkane 1-hydroxylase) (lauric acid omega-hydroxylase) (omega-hydroxylase) (f	0.009	0.0861	0.333
Mycobacterium ulcerans	linoleoyl-CoA desaturase, DesA3	0.009	0.0861	0.5587
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0094	0.0105
Echinococcus granulosus	SAM and MBT domain containing protein	0.0046	0.0362	0.0447
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0017	0.0027	0.5
Mycobacterium ulcerans	lipase LipD	0.0037	0.0255	0.1529
Schistosoma mansoni	hypothetical protein	0.004	0.0284	0.0355
Leishmania major	fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative	0.009	0.0861	0.0861
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0037	0.0255	0.0281
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0037	0.0255	0.0942
Trichomonas vaginalis	set domain proteins, putative	0.0244	0.2634	0.7838
Brugia malayi	Niemann-Pick C1 protein precursor	0.0096	0.093	0.1037
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0058	0.0497	0.0552
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0037	0.0255	0.1529
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0023	0.0094	0.0449
Mycobacterium ulcerans	transmembrane alkane 1-monooxygenase AlkB	0.009	0.0861	0.5587
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0092	0.0882	0.0984
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0092	0.0882	0.0984
Echinococcus granulosus	fetal alzheimer antigen falz	0.0022	0.0081	0.0095
Brugia malayi	beta-lactamase family protein	0.0037	0.0255	0.0285
Mycobacterium tuberculosis	Conserved protein	0.0037	0.0255	0.0942
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0789	0.8897	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0301	0.3289	1
Brugia malayi	Fatty acid desaturase family protein	0.009	0.0861	0.096
Schistosoma mansoni	microtubule-associated protein tau	0.0711	0.8	1
Trypanosoma cruzi	cytochrome b5-dependent oleate desaturase	0.009	0.0861	0.0861
Echinococcus multilocularis	survival motor neuron protein 1	0.023	0.2473	0.2776
Schistosoma mansoni	bromodomain containing protein	0.0062	0.0537	0.0671
Onchocerca volvulus		0.0037	0.0255	0.0163
Loa Loa (eye worm)	beta-lactamase	0.0037	0.0255	0.0285
Mycobacterium tuberculosis	Probable esterase LipL	0.0037	0.0255	0.0942
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0092	0.0882	0.1103
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0094	0.0094
Loa Loa (eye worm)	hypothetical protein	0.0069	0.062	0.0691
Brugia malayi	beta-lactamase	0.0037	0.0255	0.0285
Echinococcus granulosus	polycomb protein SCMH1	0.0046	0.0362	0.0447
Schistosoma mansoni	hypothetical protein	0.004	0.0284	0.0355
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.0183	0.1931	0.2166
Brugia malayi	Bromodomain containing protein	0.0073	0.0668	0.0744
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0048	0.0386	0.0431
Loa Loa (eye worm)	PHD-finger family protein	0.002	0.006	0.0067
Echinococcus multilocularis	protein dispatched 1	0.0047	0.0368	0.0408
Plasmodium vivax	stearoyl-CoA desaturase (acyl-CoA desaturase, faty acid desaturase), putative	0.0795	0.8968	1
Schistosoma mansoni	patched 1	0.0041	0.0301	0.0377
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0023	0.0094	0.0449
Echinococcus granulosus	histone acetyltransferase MYST2	0.0053	0.0436	0.0539
Trypanosoma brucei	hypothetical protein, conserved	0.0037	0.0255	0.0255
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0255	0.0285
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0147	0.1519	1
Echinococcus granulosus	beta LACTamase domain containing family member	0.0037	0.0255	0.0313
Mycobacterium ulcerans	esterase/lipase LipP	0.0037	0.0255	0.1529
Echinococcus granulosus	microtubule associated protein 2	0.0711	0.8	1
Schistosoma mansoni	hypothetical protein	0.0047	0.0368	0.046
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0058	0.0497	0.0614
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0027	0.003

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	18.526 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	22.3872 uM	PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 44.6684 um	PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)]	ChEMBL.	No reference
Potency (functional)	44.6684 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)	79.4328 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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.

In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

ChEMBL: CHEMBL1336658

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1197653