TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 467.455 | Formula: C18H40IN6-
H donors: 2 H acceptors: 0 LogP: 4.59 Rotable bonds: 17
Rule of 5 violations (Lipinski): 1
SMILES: CN(C(=N)NCCCCCCCCCCCCNC(=N)N(C)C)C.[I-]
InChi: 1S/C18H40N6.HI/c1-23(2)17(19)21-15-13-11-9-7-5-6-8-10-12-14-16-22-18(20)24(3)4;/h5-16H2,1-4H3,(H2,19,21)(H2,20,22);1H/p-1
InChiKey: QXCOOINUAXFCRX-UHFFFAOYSA-M

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
Trichomonas vaginalis	inositol monophosphatase, putative	0.0037	0.0676	0.0276
Leishmania major	4-coumarate:coa ligase-like protein	0.0047	0.0979	0.7454
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0848	0.0918
Entamoeba histolytica	acyl-coA synthetase, putative	0.0047	0.0979	0.0925
Trypanosoma brucei	hypothetical protein, conserved	0.0036	0.066	0.5022
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0039	0.0746	0.0746
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0051	0.111	0.2127
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase	0.0033	0.0547	0.4165
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0047	0.0979	1
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0051	0.111	0.8452
Echinococcus multilocularis	X box binding protein 1	0.0291	0.8272	0.8272
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0101	0.2591	0.2591
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.1418	0.1418
Trypanosoma cruzi	hypothetical protein, conserved	0.0058	0.1314	1
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0037	0.0676	0.0276
Schistosoma mansoni	hypothetical protein	0.0039	0.0746	0.0746
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.066	0.5022
Brugia malayi	AMP-binding enzyme family protein	0.0047	0.0979	0.106
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0979	0.106
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0035	0.0624	0.0957
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0033	0.0566	0.0869
Brugia malayi	MH2 domain containing protein	0.0116	0.3051	0.3303
Schistosoma mansoni	aldehyde dehydrogenase	0.0051	0.111	0.111
Mycobacterium tuberculosis	Probable hydrolase	0.0036	0.066	0.1012
Mycobacterium tuberculosis	Conserved protein	0.0036	0.066	0.1012
Mycobacterium tuberculosis	Probable lipase LipE	0.0036	0.066	0.1012
Brugia malayi	AMP-binding enzyme family protein	0.0047	0.0979	0.106
Leishmania major	cytochrome p450-like protein	0.0023	0.0265	0.2014
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0036	0.066	0.066
Leishmania major	hypothetical protein, conserved	0.0036	0.066	0.5022
Loa Loa (eye worm)	transcription factor SMAD2	0.0116	0.3051	0.3303
Echinococcus multilocularis	tumor protein p63	0.0329	0.9417	0.9417
Leishmania major	peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative	0.0033	0.0547	0.4165
Plasmodium falciparum	ataxin-2 like protein, putative	0.005	0.1079	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.066	0.0241
Echinococcus granulosus	Protein patched homolog 1	0.0043	0.0848	0.0848
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0624	0.0675
Loa Loa (eye worm)	Pin1-type peptidyl-prolyl cis-trans isomerase	0.0033	0.0571	0.0618
Loa Loa (eye worm)	hypothetical protein	0.0036	0.066	0.0714
Leishmania major	4-coumarate:coa ligase-like protein	0.0047	0.0979	0.7454
Echinococcus granulosus	Niemann Pick C1 protein	0.0099	0.2545	0.2545
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.1418	0.1418
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0023	0.0265	0.0507
Schistosoma mansoni	rotamase	0.0033	0.0571	0.0571
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.0033	0.0561	0.086
Echinococcus multilocularis	geminin	0.0349	1	1
Brugia malayi	Niemann-Pick C1 protein precursor	0.0099	0.2545	0.2756
Brugia malayi	Cytochrome P450 family protein	0.0053	0.1152	0.1248
Loa Loa (eye worm)	inositol-1	0.0037	0.0676	0.0732
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.0189	0.5221	1
Echinococcus multilocularis	protein patched	0.0043	0.0848	0.0848
Mycobacterium tuberculosis	Conserved protein	0.0036	0.066	0.1012
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.066	0.0241
Loa Loa (eye worm)	hypothetical protein	0.0036	0.066	0.0714
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0189	0.5221	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0047	0.0979	0.7454
Trypanosoma cruzi	hypothetical protein, conserved	0.0058	0.1314	1
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0058	0.1314	0.164
Loa Loa (eye worm)	hypothetical protein	0.0036	0.066	0.0714
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0189	0.5221	1
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0037	0.0676	0.609
Trypanosoma brucei	cytochrome P450, putative	0.0023	0.0265	0.2014
Trypanosoma cruzi	cytochrome P450, putative	0.0023	0.0265	0.2014
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0062	0.1418	0.1535
Mycobacterium ulcerans	acyl-CoA synthetase	0.0047	0.0979	0.1876
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0037	0.0676	0.5
Schistosoma mansoni	hypothetical protein	0.0041	0.0802	0.0802
Echinococcus multilocularis	sterol regulatory element binding protein	0.0043	0.0848	0.0848
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0979	0.106
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0039	0.0746	0.0746
Mycobacterium ulcerans	hypothetical protein	0.0036	0.066	0.1264
Trypanosoma brucei	PAB1-binding protein , putative	0.005	0.1079	0.8211
Mycobacterium tuberculosis	Probable lipase LipD	0.0036	0.066	0.1012
Loa Loa (eye worm)	hypothetical protein	0.0052	0.1135	0.1229
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0036	0.066	0.1012
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0624	0.0675
Mycobacterium ulcerans	hypothetical protein	0.0047	0.0979	0.1876
Mycobacterium leprae	Probable lipase LipE	0.0036	0.066	0.6737
Entamoeba histolytica	hypothetical protein	0.0039	0.0746	0.0425
Echinococcus multilocularis	Niemann Pick C1 protein	0.0099	0.2545	0.2545
Trypanosoma brucei	low molecular weight protein tyrosine phosphatase, putative	0.0058	0.1314	1
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0232	0.6518	1
Leishmania major	hypothetical protein, conserved	0.005	0.1079	0.8211
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0051	0.111	0.1703
Plasmodium falciparum	ataxin-2 like protein, putative	0.005	0.1079	1
Brugia malayi	AMP-binding enzyme family protein	0.0047	0.0979	0.106
Trypanosoma cruzi	PAB1-binding protein , putative	0.005	0.1079	0.8211
Trypanosoma cruzi	PAB1-binding protein , putative	0.005	0.1079	0.8211
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0099	0.2545	0.4276
Toxoplasma gondii	ABC1 family protein	0.0036	0.066	0.5942
Echinococcus granulosus	sterol regulatory element binding protein	0.0043	0.0848	0.0848
Loa Loa (eye worm)	CYP4Cod1	0.0023	0.0265	0.0286
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0624	0.0675
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.1418	0.1418
Schistosoma mansoni	transcription factor LCR-F1	0.0039	0.0746	0.0746
Onchocerca volvulus		0.0189	0.5221	0.5318
Schistosoma mansoni	hypothetical protein	0.0349	1	1
Echinococcus multilocularis	protein dispatched 1	0.0049	0.1029	0.1029
Echinococcus granulosus	tar DNA binding protein	0.0062	0.1418	0.1418
Loa Loa (eye worm)	hypothetical protein	0.0048	0.1014	0.1097
Brugia malayi	hypothetical protein	0.0323	0.9236	1
Onchocerca volvulus		0.0048	0.1014	0.0413
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0023	0.0248	0.0248
Schistosoma mansoni	hypothetical protein	0.0041	0.0802	0.0802
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0047	0.0979	0.0925
Trypanosoma cruzi	cytochrome P450, putative	0.0023	0.0265	0.2014
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0035	0.0624	0.5
Schistosoma mansoni	patched 1	0.0043	0.0848	0.0848
Brugia malayi	RNA binding protein	0.0062	0.1418	0.1535
Toxoplasma gondii	peptidylprolyl isomerase	0.0033	0.0547	0.4927
Loa Loa (eye worm)	beta-lactamase	0.0036	0.066	0.0714
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0037	0.0676	0.0276
Schistosoma mansoni	cellular tumor antigen P53	0.0048	0.1014	0.1014
Mycobacterium ulcerans	beta-lactamase	0.0036	0.066	0.1264
Schistosoma mansoni	hypothetical protein	0.0023	0.0248	0.0248
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0189	0.5221	1
Brugia malayi	beta-lactamase family protein	0.0036	0.066	0.0714
Brugia malayi	RNA recognition motif domain containing protein	0.0062	0.1418	0.1535
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0036	0.066	0.1012
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0047	0.0979	0.1502
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0047	0.0979	0.1502
Leishmania major	hypothetical protein, conserved	0.0058	0.1314	1
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0189	0.5221	1
Schistosoma mansoni	hypothetical protein	0.0291	0.8272	0.8272
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0047	0.0979	0.1876
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.066	0.0241
Loa Loa (eye worm)	RNA binding protein	0.0062	0.1418	0.1535
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0624	0.0675
Schistosoma mansoni	inositol monophosphatase	0.0037	0.0676	0.0676
Loa Loa (eye worm)	MH2 domain-containing protein	0.0116	0.3051	0.3303
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.066	0.5022
Loa Loa (eye worm)	hypothetical protein	0.005	0.1079	0.1168
Brugia malayi	Cytochrome P450 family protein	0.0023	0.0265	0.0286
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0033	0.0566	0.0869
Loa Loa (eye worm)	TAR-binding protein	0.0062	0.1418	0.1535
Schistosoma mansoni	inositol monophosphatase	0.0037	0.0676	0.0676
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.066	0.066
Schistosoma mansoni	hypothetical protein	0.0041	0.0802	0.0802
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0051	0.111	0.2127
Loa Loa (eye worm)	hypothetical protein	0.0036	0.066	0.0714
Brugia malayi	hypothetical protein	0.0033	0.0545	0.059
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0035	0.0624	0.1195
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.066	0.0241
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0036	0.066	0.1264
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0033	0.0566	0.0869
Echinococcus granulosus	expressed conserved protein	0.0093	0.2365	0.2365
Mycobacterium ulcerans	acyl-CoA synthetase	0.0047	0.0979	0.1876
Loa Loa (eye worm)	phosphotyrosine protein phosphatase	0.0189	0.5221	0.5652
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0037	0.0676	0.0276
Onchocerca volvulus		0.0047	0.0979	0.0372
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0037	0.0676	0.5147
Plasmodium vivax	ataxin-2 like protein, putative	0.005	0.1079	1
Trichomonas vaginalis	esterase, putative	0.0036	0.066	0.0241
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0036	0.066	0.1012
Mycobacterium ulcerans	phosphotyrosine protein phosphatase PtpA	0.0189	0.5221	1
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0036	0.066	0.0714
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0023	0.0248	0.0248
Mycobacterium leprae	possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ).	0.0033	0.0561	0.5724
Trichomonas vaginalis	conserved hypothetical protein	0.0043	0.0848	0.0645
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.066	0.0241
Echinococcus multilocularis	Niemann Pick C1 protein	0.0142	0.3821	0.3821
Toxoplasma gondii	LsmAD domain-containing protein	0.005	0.1079	0.9715
Toxoplasma gondii	aldehyde dehydrogenase	0.0051	0.111	1
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0051	0.111	0.111
Echinococcus granulosus	Niemann Pick C1 protein	0.0142	0.3821	0.3821
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0037	0.0676	0.1295
Brugia malayi	TAR-binding protein	0.0062	0.1418	0.1535
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0037	0.0676	0.5147
Schistosoma mansoni	aldehyde dehydrogenase	0.0051	0.111	0.111
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0189	0.5221	1
Mycobacterium ulcerans	lipase LipD	0.0036	0.066	0.1264
Mycobacterium tuberculosis	Conserved protein	0.0036	0.066	0.1012
Echinococcus granulosus	expressed protein	0.0033	0.0571	0.0571
Plasmodium vivax	hypothetical protein, conserved	0.0036	0.066	0.0794
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0051	0.111	0.2127
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0033	0.0566	0.0869
Brugia malayi	beta-lactamase	0.0036	0.066	0.0714
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0047	0.0979	0.1876
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0047	0.0979	1
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0189	0.5221	1
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase	0.0033	0.0547	0.4165
Loa Loa (eye worm)	cytochrome P450 family protein	0.0053	0.1152	0.1248
Entamoeba histolytica	hypothetical protein	0.0039	0.0746	0.0425
Trichomonas vaginalis	rotamase, putative	0.0033	0.0571	0.005
Giardia lamblia	Low molecular weight protein-tyrosine-phosphatase	0.0189	0.5221	0.5
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0047	0.0979	0.1876
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0036	0.066	0.0714
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0037	0.0676	0.5147
Loa Loa (eye worm)	hypothetical protein	0.0036	0.066	0.0714
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0051	0.111	0.111
Trichomonas vaginalis	conserved hypothetical protein	0.0033	0.0571	0.005
Mycobacterium leprae	conserved hypothetical protein	0.0036	0.066	0.6737
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0979	0.106
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0047	0.0979	0.1876
Brugia malayi	Low molecular weight phosphotyrosine protein phosphatase containing protein	0.0189	0.5221	0.5652
Loa Loa (eye worm)	hypothetical protein	0.0036	0.066	0.0714
Onchocerca volvulus		0.0323	0.9236	1
Mycobacterium ulcerans	esterase/lipase LipP	0.0036	0.066	0.1264
Echinococcus multilocularis	tar DNA binding protein	0.0062	0.1418	0.1418
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0047	0.0979	0.0925
Brugia malayi	Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1	0.0033	0.0571	0.0618
Echinococcus multilocularis	expressed conserved protein	0.0093	0.2365	0.2365
Brugia malayi	Inositol-1	0.0037	0.0676	0.0732
Mycobacterium tuberculosis	Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase)	0.0131	0.348	0.5338
Brugia malayi	hypothetical protein	0.005	0.1079	0.1168
Entamoeba histolytica	hypothetical protein	0.0039	0.0746	0.0425
Echinococcus multilocularis	inositol monophosphatase 1	0.0037	0.0676	0.0676
Brugia malayi	hypothetical protein	0.0039	0.0746	0.0807
Echinococcus granulosus	beta LACTamase domain containing family member	0.0036	0.066	0.066
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.066	0.066
Schistosoma mansoni	hypothetical protein	0.0041	0.0802	0.0802
Echinococcus granulosus	X box binding protein 1	0.0291	0.8272	0.8272
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.1418	0.1418
Schistosoma mansoni	hypothetical protein	0.0349	1	1
Mycobacterium tuberculosis	Probable esterase LipL	0.0036	0.066	0.1012
Trypanosoma brucei	peptidyl-prolyl cis-trans isomerase/rotamase, putative	0.0033	0.0547	0.4165
Echinococcus multilocularis	expressed protein	0.0033	0.0571	0.0571
Echinococcus granulosus	tumor protein p63	0.0329	0.9417	0.9417
Loa Loa (eye worm)	cytochrome P450 family protein	0.0023	0.0265	0.0286
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.1418	0.1418
Brugia malayi	Cytochrome P450 family protein	0.0023	0.0265	0.0286
Loa Loa (eye worm)	hypothetical protein	0.0323	0.9236	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0047	0.0979	0.1876
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.0189	0.5221	1
Entamoeba histolytica	hypothetical protein	0.0039	0.0746	0.0425
Loa Loa (eye worm)	hypothetical protein	0.0099	0.2545	0.2756
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0043	0.0848	0.0918
Brugia malayi	beta-lactamase family protein	0.0036	0.066	0.0714
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0624	0.0675
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0058	0.1314	0.164
Echinococcus granulosus	inositol monophosphatase 1	0.0037	0.0676	0.0676
Loa Loa (eye worm)	cytochrome P450 family protein	0.0023	0.0265	0.0286
Brugia malayi	CHE-14 protein	0.0043	0.0848	0.0918
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0037	0.0676	0.5147

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 1.6 nM	Antimalarial activity against Plasmodium falciparum Nigerian in human erythrocytes after 48 hrs	ChEMBL.	18004799
pKa	= 14.1	Dissociation constant, pKa of the compound by potentiometric titration	ChEMBL.	18004799

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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: 504344

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 449436