TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 452.409 | Formula: C20H22F2N4O6
H donors: 1 H acceptors: 6 LogP: 2.11 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CCn1cc(C(=O)O)c(=O)c2c1c(F)c(c(c2)F)N1CCN(CC1C)C(=O)CC[N+](=O)[O-]
InChi: 1S/C20H22F2N4O6/c1-3-23-10-13(20(29)30)19(28)12-8-14(21)18(16(22)17(12)23)25-7-6-24(9-11(25)2)15(27)4-5-26(31)32/h8,10-11H,3-7,9H2,1-2H3,(H,29,30)
InChiKey: BZMXOCATJGWCKO-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

Species	Target name	Source	Bibliographic reference
Mycobacterium tuberculosis	Isocitrate lyase Icl (isocitrase) (isocitratase)	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Mycobacterium ulcerans	isocitrate lyase AceAb	Get druggable targets OG5_129572	All targets in OG5_129572
Candida albicans	isocitrate lyase capable of functionally substituting for S. cerevisiae ICL1 (YER065C)	Get druggable targets OG5_129572	All targets in OG5_129572
Mycobacterium ulcerans	isocitrate lyase Icl	Get druggable targets OG5_129572	All targets in OG5_129572
Mycobacterium tuberculosis	Probable isocitrate lyase AceAb [second part] (isocitrase) (isocitratase) (Icl)	Get druggable targets OG5_129572	All targets in OG5_129572
Candida albicans	isocitrate lyase capable of functionally substituting for S. cerevisiae ICL1 (YER065C)	Get druggable targets OG5_129572	All targets in OG5_129572
Mycobacterium tuberculosis	Isocitrate lyase Icl (isocitrase) (isocitratase)	Get druggable targets OG5_129572	All targets in OG5_129572
Mycobacterium tuberculosis	Probable isocitrate lyase AceAa [first part] (isocitrase) (isocitratase) (Icl)	Get druggable targets OG5_129572	All targets in OG5_129572
Mycobacterium leprae	PROBABLE ISOCITRATE LYASE AceA (ISOCITRASE) (ISOCITRATASE) (ICL)	Get druggable targets OG5_129572	All targets in OG5_129572

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
Schistosoma mansoni	chromobox protein	0.007	0.0891	0.1047
Echinococcus multilocularis	neuropeptide receptor A26	0.0537	0.8514	0.9999
Brugia malayi	Smad1	0.0018	0.0025	0.0036
Brugia malayi	Heterochromatin protein 1	0.007	0.0891	0.1259
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0018	0.0025	0.003
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0032	0.0262	0.0308
Brugia malayi	Cytochrome P450 family protein	0.0016	0.0001	0.0001
Echinococcus granulosus	geminin	0.0537	0.8514	1
Schistosoma mansoni	smad1 5 8 and	0.0018	0.0025	0.003
Echinococcus multilocularis	GPCR, family 2	0.005	0.0556	0.0653
Entamoeba histolytica	hypothetical protein	0.005	0.0563	1
Mycobacterium tuberculosis	Probable isocitrate lyase AceAb [second part] (isocitrase) (isocitratase) (Icl)	0.0627	1	1
Brugia malayi	MH2 domain containing protein	0.0257	0.3947	0.5579
Loa Loa (eye worm)	glutathione reductase	0.0168	0.248	0.3505
Brugia malayi	Mitochondrial import inner membrane translocase subunit Tim17 family protein	0.0082	0.1079	0.1526
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0115	0.0163
Brugia malayi	nuclear receptor RXR	0.0017	0.0015	0.0021
Loa Loa (eye worm)	TAR-binding protein	0.0064	0.0786	0.1112
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0032	0.0262	0.0022
Trichomonas vaginalis	conserved hypothetical protein	0.0039	0.0385	0.0239
Trypanosoma cruzi	cytochrome P450, putative	0.0016	0.0001	0.0003
Loa Loa (eye worm)	thioredoxin reductase	0.0168	0.248	0.3505
Brugia malayi	hypothetical protein	0.0017	0.0015	0.0021
Loa Loa (eye worm)	transport to inner mitochondrial membrane family member	0.0097	0.1318	0.1863
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0032	0.0262	0.037
Mycobacterium tuberculosis	Probable oxidoreductase	0.0425	0.6689	0.6689
Loa Loa (eye worm)	hypothetical protein	0.0158	0.232	0.328
Plasmodium vivax	mitochondrial import inner membrane translocase subunit TIM23, putative	0.0082	0.1079	0.4353
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0382	0.5991	0.5752
Toxoplasma gondii	mitochondrial inner membrane translocase subunit TIM17, putative	0.0082	0.1079	0.3744
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0032	0.0262	0.037
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0058	0.0689	0.2777
Mycobacterium tuberculosis	Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot	0.0058	0.0689	0.0689
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0058	0.0689	0.2777
Echinococcus granulosus	tar DNA binding protein	0.0064	0.0786	0.0924
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0382	0.5991	0.5991
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0064	0.0786	0.1112
Trichomonas vaginalis	mercuric reductase, putative	0.0058	0.0689	0.0624
Echinococcus multilocularis	smad	0.0018	0.0025	0.003
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0032	0.0262	0.037
Schistosoma mansoni	Smad4	0.0018	0.0025	0.003
Loa Loa (eye worm)	Smad1	0.0018	0.0025	0.0036
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0032	0.0262	0.0308
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0192	0.2883	0.3386
Brugia malayi	MH1 domain containing protein	0.0018	0.0025	0.0036
Schistosoma mansoni	retinoic acid receptor RXR	0.0032	0.0262	0.0308
Schistosoma mansoni	coup transcription factor	0.0032	0.0262	0.0308
Schistosoma mansoni	high voltage-activated calcium channel Cav2A	0.011	0.1537	0.1805
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0032	0.0262	0.0308
Brugia malayi	Latrophilin receptor protein 2	0.005	0.0556	0.0785
Brugia malayi	RNA recognition motif domain containing protein	0.0064	0.0786	0.1112
Brugia malayi	Pre-SET motif family protein	0.0449	0.7075	1
Mycobacterium tuberculosis	Class a beta-lactamase BlaC	0.0134	0.1934	0.1934
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0041	0.0412	0.0484
Echinococcus multilocularis	ecdysone induced protein 78C	0.0032	0.0262	0.0308
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0382	0.5991	0.5991
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0032	0.0262	0.0308
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0382	0.5991	0.5991
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0032	0.0262	0.0308
Leishmania major	trypanothione reductase	0.0168	0.248	0.8601
Brugia malayi	TAR-binding protein	0.0064	0.0786	0.1112
Trypanosoma brucei	Voltage-dependent calcium channel subunit, putative	0.0067	0.0832	0.3357
Schistosoma mansoni	thyroid hormone receptor	0.0032	0.0262	0.0308
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0032	0.0262	0.037
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0192	0.2883	0.3386
Echinococcus multilocularis	X box binding protein 1	0.0291	0.4504	0.529
Echinococcus granulosus	histone lysine methyltransferase setb	0.0064	0.0791	0.0929
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0064	0.0791	0.0929
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0262	0.037
Onchocerca volvulus		0.0179	0.2669	0.3091
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0017	0.0015	0.0018
Toxoplasma gondii	thioredoxin reductase	0.0168	0.248	0.8601
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0058	0.0689	0.2777
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.005	0.0556	0.0653
Loa Loa (eye worm)	hypothetical protein	0.002	0.007	0.0099
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0015	0.0021
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0158	0.232	0.328
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0032	0.0262	0.037
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0064	0.0791	0.0929
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.005	0.0556	0.0653
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0032	0.0262	0.0308
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0786	0.0924
Echinococcus multilocularis	voltage dependent calcium channel	0.011	0.1537	0.1805
Plasmodium vivax	holo-[acyl-carrier-protein] synthase, putative	0.005	0.0563	0.227
Loa Loa (eye worm)	cytochrome P450 family protein	0.0016	0.0001	0.0001
Mycobacterium ulcerans	lipoprotein LpqF	0.0064	0.0792	0.0792
Brugia malayi	MH2 domain containing protein	0.0018	0.0025	0.0036
Schistosoma mansoni	high voltage-activated calcium channel Cav1	0.011	0.1537	0.1805
Echinococcus granulosus	voltage dependent L type calcium channel subunit\|voltage dependent calcium channel	0.011	0.1537	0.1805
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0032	0.0262	0.0308
Echinococcus granulosus	smad	0.0018	0.0025	0.003
Echinococcus granulosus	thioredoxin glutathione reductase	0.0169	0.2506	0.2943
Schistosoma mansoni	hypothetical protein	0.0537	0.8514	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0257	0.3947	0.5579
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0032	0.0262	0.037
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0076	0.098	0.115
Brugia malayi	Voltage-gated calcium channel, L-type, alpha subunit. C. elegans egl-19 ortholog	0.011	0.1537	0.2172
Loa Loa (eye worm)	heterochromatin protein 1	0.007	0.0891	0.1259
Mycobacterium tuberculosis	Probable dehydrogenase	0.0382	0.5991	0.5991
Schistosoma mansoni	aldehyde dehydrogenase	0.0192	0.2883	0.3386
Loa Loa (eye worm)	calcium channel	0.011	0.1537	0.2172
Echinococcus granulosus	CREB binding protein	0.0088	0.1182	0.1388
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0032	0.0262	0.037
Loa Loa (eye worm)	X11 protein	0.0079	0.1024	0.1447
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.005	0.0556	0.0653
Echinococcus granulosus	amyloid beta A4 protein	0.0079	0.1024	0.1202
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0058	0.0689	0.2777
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0017	0.0015	0.0018
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0032	0.0262	0.0308
Brugia malayi	Steroid receptor seven-up type 2	0.0032	0.0262	0.037
Echinococcus multilocularis	voltage dependent L type calcium channel subunit	0.011	0.1537	0.1805
Echinococcus granulosus	voltage dependent calcium channel type d subunit\|voltage dependent calcium channel alpha 1	0.011	0.1537	0.1805
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0192	0.2883	1
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0262	0.037
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0032	0.0262	0.0308
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein	0.0043	0.0436	0.0617
Brugia malayi	chromobox protein homolog 3	0.0039	0.0385	0.0544
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0064	0.0791	0.0929
Echinococcus multilocularis	voltage dependent L type calcium channel subunit	0.011	0.1537	0.1805
Mycobacterium ulcerans	flavoprotein disulfide reductase	0.0058	0.0689	0.0688
Schistosoma mansoni	amyloid beta A4 protein related	0.0079	0.1024	0.1202
Onchocerca volvulus	Protein ultraspiracle homolog	0.0032	0.0262	0.0022
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0032	0.0262	0.037
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0032	0.0262	0.0308
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0169	0.2506	0.2943
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0058	0.0689	1
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0791	0.1118
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0032	0.0262	0.0308
Trypanosoma brucei	dihydrolipoamide dehydrogenase, point mutation	0.0058	0.0689	0.2777
Brugia malayi	hypothetical protein	0.0017	0.0015	0.0021
Echinococcus granulosus	voltage gated sodium channel Nav1 alpha subunit	0.0047	0.0501	0.0589
Schistosoma mansoni	hypothetical protein	0.005	0.0556	0.0653
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0032	0.0262	0.0308
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0032	0.0262	0.0308
Echinococcus multilocularis	mitochondrial import inner membrane translocase subunit TIM23, putative	0.0082	0.1079	0.1268
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0032	0.0262	0.0308
Echinococcus multilocularis	chromobox protein 1	0.007	0.0891	0.1047
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0032	0.0262	0.037
Schistosoma mansoni	CREB-binding protein 2	0.0088	0.1182	0.1388
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0058	0.0689	0.2777
Echinococcus multilocularis	tar DNA binding protein	0.0064	0.0786	0.0924
Toxoplasma gondii	transporter, cation channel family protein	0.0023	0.0115	0.0399
Onchocerca volvulus	Bile acid receptor homolog	0.0032	0.0262	0.0022
Schistosoma mansoni	transcription factor LCR-F1	0.0041	0.0412	0.0484
Toxoplasma gondii	NADPH-glutathione reductase	0.0058	0.0689	0.2388
Loa Loa (eye worm)	MH2 domain-containing protein	0.0018	0.0025	0.0036
Trichomonas vaginalis	conserved hypothetical protein	0.0039	0.0385	0.0239
Echinococcus multilocularis	voltage dependent calcium channel	0.011	0.1537	0.1805
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase, LpdB	0.0058	0.0689	0.0688
Loa Loa (eye worm)	CYP4Cod1	0.0016	0.0001	0.0001
Schistosoma mansoni	hypothetical protein	0.0291	0.4504	0.529
Schistosoma mansoni	hypothetical protein	0.005	0.0556	0.0653
Mycobacterium leprae	PROBABLE CONSERVED LIPOPROTEIN LPQF	0.0064	0.0792	0.0243
Plasmodium vivax	SET domain protein, putative	0.0064	0.0791	0.3189
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0058	0.0689	0.2388
Echinococcus multilocularis	voltage dependent calcium channel type d subunit	0.011	0.1537	0.1805
Echinococcus granulosus	mothers against decapentaplegic 5	0.0018	0.0025	0.003
Mycobacterium ulcerans	isocitrate lyase Icl	0.0627	1	1
Echinococcus granulosus	ecdysone induced protein 78C	0.0032	0.0262	0.0308
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0262	0.037
Echinococcus multilocularis	amyloid beta A4 protein	0.0079	0.1024	0.1202
Giardia lamblia	NADH oxidase lateral transfer candidate	0.0058	0.0689	0.5
Schistosoma mansoni	smad1 5 8 and	0.0018	0.0025	0.003
Echinococcus granulosus	voltage dependent calcium channel	0.0023	0.0115	0.0135
Trypanosoma cruzi	trypanothione reductase, putative	0.0058	0.0689	0.2777
Schistosoma mansoni	hypothetical protein	0.0041	0.0412	0.0484
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0064	0.0791	0.0929
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0032	0.0262	0.037
Echinococcus granulosus	neuropeptide receptor A26	0.0537	0.8514	0.9999
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0064	0.0791	0.0929
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0032	0.0262	0.0308
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0017	0.0015	0.0018
Brugia malayi	Thioredoxin reductase	0.0168	0.248	0.3505
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0786	0.0924
Brugia malayi	Mitochondrial import inner membrane translocase subunit TIM10	0.0097	0.1318	0.1863
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0168	0.248	0.248
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0262	0.037
Schistosoma mansoni	mitochondrial import inner membrane translocase subunit tim10	0.0097	0.1318	0.1548
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0058	0.0689	0.2777
Brugia malayi	hypothetical protein	0.0074	0.0949	0.1342
Schistosoma mansoni	smad1 5 8 and	0.0018	0.0025	0.003
Loa Loa (eye worm)	RNA binding protein	0.0064	0.0786	0.1112
Brugia malayi	Pre-SET motif family protein	0.0064	0.0791	0.1118
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0032	0.0262	0.0308
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0062	0.0752	0.0883
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase	0.0058	0.0689	0.0688
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0015	0.0021
Mycobacterium leprae	Isocitrate lyase	0.0294	0.4549	0.4223
Echinococcus multilocularis	L aminoadipate semialdehyde	0.0179	0.2669	0.3135
Brugia malayi	RNA binding protein	0.0064	0.0786	0.1112
Mycobacterium ulcerans	4'-phosphopantetheinyl transferase	0.005	0.0563	0.0562
Mycobacterium tuberculosis	Probable isocitrate lyase AceAa [first part] (isocitrase) (isocitratase) (Icl)	0.0627	1	1
Echinococcus multilocularis	voltage dependent calcium channel type d subunit	0.011	0.1537	0.1805
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0058	0.0689	0.2777
Plasmodium vivax	dihydrolipoyl dehydrogenase, apicoplast, putative	0.0058	0.0689	0.2777
Onchocerca volvulus		0.0076	0.098	0.0936
Trichomonas vaginalis	chromobox protein, putative	0.007	0.0891	0.0881
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0017	0.0015	0.0021
Schistosoma mansoni	aminoadipate-semialdehyde dehydrogenase	0.0179	0.2669	0.3135
Loa Loa (eye worm)	latrophilin receptor protein 2	0.005	0.0556	0.0785
Brugia malayi	Mitochondrial import inner membrane translocase subunit Tim17 family protein	0.0082	0.1079	0.1526
Brugia malayi	photoreceptor-specific nuclear receptor	0.0032	0.0262	0.037
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0262	0.037
Schistosoma mansoni	CREB-binding protein 1 (SmCBP1)	0.0088	0.1182	0.1388
Mycobacterium tuberculosis	Probable reductase	0.0382	0.5991	0.5991
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0032	0.0262	0.037
Schistosoma mansoni	chromobox protein	0.007	0.0891	0.1047
Trypanosoma cruzi	cytochrome P450, putative	0.0016	0.0001	0.0003
Trichomonas vaginalis	chromobox protein, putative	0.0042	0.0434	0.0301
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0786	0.0924
Trichomonas vaginalis	chromobox protein, putative	0.007	0.0891	0.0881
Trypanosoma brucei	cytochrome P450, putative	0.0016	0.0001	0.0003
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0032	0.0262	0.037
Trypanosoma brucei	hypothetical protein, conserved	0.005	0.0563	0.227
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0058	0.0689	0.0809
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0032	0.0262	0.037
Echinococcus granulosus	chromobox protein 1	0.007	0.0891	0.1047
Mycobacterium tuberculosis	holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie	0.005	0.0563	0.0563
Loa Loa (eye worm)	MH1 domain-containing protein	0.0018	0.0025	0.0036
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0032	0.0262	0.037
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0058	0.0689	0.2777
Trichomonas vaginalis	chromobox protein, putative	0.0042	0.0434	0.0301
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0262	0.037
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0058	0.0689	0.2388
Loa Loa (eye worm)	CBP-B	0.0088	0.1182	0.1671
Brugia malayi	steroid hormone receptor	0.0032	0.0262	0.037
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0192	0.2883	0.2883
Echinococcus multilocularis	geminin	0.0537	0.8514	1
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0018	0.0025	0.003
Schistosoma mansoni	hypothetical protein	0.005	0.0556	0.0653
Schistosoma mansoni	voltage-gated cation channel	0.011	0.1537	0.1805
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0032	0.0262	0.0308
Brugia malayi	ecdysteroid receptor	0.0032	0.0262	0.037
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0382	0.5991	0.5991
Echinococcus granulosus	chromobox protein 1	0.007	0.0891	0.1047
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0032	0.0262	0.0308
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0032	0.0262	0.0308
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0786	0.0924
Brugia malayi	hypothetical protein	0.0041	0.0412	0.0582
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0015	0.0021
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0058	0.0689	0.0809
Plasmodium falciparum	mitochondrial import inner membrane translocase subunit TIM23, putative	0.0082	0.1079	0.4353
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.0058	0.0689	1
Echinococcus multilocularis	sodium channel protein	0.0047	0.0501	0.0589
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0158	0.232	0.328
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0786	0.0924
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0192	0.2883	0.2883
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0041	0.0412	0.0484
Mycobacterium ulcerans	class a beta-lactamase, BlaC	0.0134	0.1934	0.1933
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.005	0.0556	0.0785
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0042	0.0434	0.024
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0018	0.0025	0.003
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0385	0.0544
Toxoplasma gondii	TIM10 family protein, putative	0.0097	0.1318	0.4571
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0032	0.0262	0.037
Trypanosoma brucei	beta lactamase	0.0064	0.0792	0.3195
Trypanosoma brucei	trypanothione reductase	0.0168	0.248	1
Plasmodium falciparum	thioredoxin reductase	0.0058	0.0689	0.2777
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0425	0.6689	0.6689
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0015	0.0021
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0058	0.0689	0.2777
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0039	0.0385	0.0178
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.005	0.0556	0.0653
Plasmodium falciparum	dihydrolipoyl dehydrogenase, apicoplast	0.0058	0.0689	0.2777
Treponema pallidum	NADH oxidase	0.0058	0.0689	1
Plasmodium vivax	mitochondrial import inner membrane translocase subunit TIM10, putative	0.0097	0.1318	0.5315
Echinococcus multilocularis	expressed protein	0.0097	0.1318	0.1548
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0449	0.7075	1
Schistosoma mansoni	hypothetical protein	0.0537	0.8514	1
Echinococcus granulosus	voltage dependent calcium channel type d subunit\|voltage dependent calcium channel\|voltage dependent L type calcium channel subu	0.011	0.1537	0.1805
Echinococcus granulosus	voltage dependent calcium channel	0.011	0.1537	0.1805
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0058	0.0689	0.0809
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0058	0.0689	0.2777
Brugia malayi	hypothetical protein	0.0076	0.0973	0.1376
Toxoplasma gondii	pyruvate dehydrogenase complex subunit PDH-E3II	0.0058	0.0689	0.2388
Toxoplasma gondii	aldehyde dehydrogenase	0.0192	0.2883	1
Echinococcus granulosus	GPCR family 2	0.005	0.0556	0.0653
Brugia malayi	alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase	0.0043	0.0436	0.0617
Brugia malayi	Nuclear hormone receptor-like 1	0.0032	0.0262	0.037
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0058	0.0689	1
Schistosoma mansoni	RAR-like nuclear receptor	0.0032	0.0262	0.0308
Brugia malayi	Cytochrome P450 family protein	0.0026	0.0171	0.0242
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0425	0.6689	0.6689
Brugia malayi	TAZ zinc finger family protein	0.0088	0.1182	0.1671
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0192	0.2883	0.2883
Echinococcus multilocularis	chromobox protein 1	0.007	0.0891	0.1047
Brugia malayi	Cytochrome P450 family protein	0.0016	0.0001	0.0001
Brugia malayi	Nuclear hormone receptor-like 1	0.0017	0.0015	0.0021
Loa Loa (eye worm)	hypothetical protein	0.002	0.007	0.0099
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0158	0.232	0.328
Echinococcus multilocularis	FTZ F1 alpha	0.0032	0.0262	0.0308
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0032	0.0262	0.037
Schistosoma mansoni	thyroid hormone receptor	0.0032	0.0262	0.0308
Brugia malayi	aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase	0.0179	0.2669	0.3773
Brugia malayi	Nuclear hormone receptor-like 1	0.0017	0.0015	0.0021
Mycobacterium ulcerans	isocitrate lyase AceAb	0.0627	1	1
Loa Loa (eye worm)	hypothetical protein	0.011	0.1537	0.2172
Plasmodium falciparum	dihydrolipoyl dehydrogenase, mitochondrial	0.0058	0.0689	0.2777
Leishmania major	2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein	0.0058	0.0689	0.2388
Plasmodium falciparum	holo-[acyl-carrier-protein] synthase, putative	0.005	0.0563	0.227
Toxoplasma gondii	mitochondrial import inner membrane translocase subunit TIM10, putative	0.0097	0.1318	0.4571
Echinococcus multilocularis	neuropeptide s receptor	0.0537	0.8514	0.9999
Brugia malayi	MH1 domain containing protein	0.0018	0.0025	0.0036
Loa Loa (eye worm)	cytochrome P450 family protein	0.0026	0.0171	0.0242
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0262	0.037
Trichomonas vaginalis	glutathione reductase, putative	0.0058	0.0689	0.0624
Plasmodium falciparum	glutathione reductase	0.0058	0.0689	0.2777
Echinococcus multilocularis	Smad4	0.0018	0.0025	0.003
Toxoplasma gondii	4'-phosphopantetheinyl transferase domain-containing protein	0.005	0.0563	0.1952
Trichomonas vaginalis	set domain proteins, putative	0.0511	0.8088	1
Leishmania major	phosphopantetheinyl transferase-like protein	0.005	0.0563	0.1952
Schistosoma mansoni	nuclear hormone receptor	0.0032	0.0262	0.0308
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0032	0.0262	0.0308
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0017	0.0015	0.0018
Leishmania major	acetoin dehydrogenase e3 component-like protein	0.0058	0.0689	0.2388
Plasmodium vivax	glutathione reductase, putative	0.0168	0.248	1
Brugia malayi	glutathione reductase	0.0168	0.248	0.3505
Loa Loa (eye worm)	hypothetical protein	0.0082	0.1079	0.1526
Brugia malayi	Mitochondrial import inner membrane translocase subunit Tim17 family protein	0.0082	0.1079	0.1526
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0425	0.6689	0.6492
Echinococcus granulosus	CREB binding protein	0.0088	0.1182	0.1388
Echinococcus granulosus	L aminoadipate semialdehyde	0.0179	0.2669	0.3135
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0032	0.0262	0.037
Onchocerca volvulus		0.0511	0.8088	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0032	0.0262	0.037
Trypanosoma cruzi	Voltage-dependent calcium channel subunit, putative	0.0067	0.0832	0.3357
Echinococcus multilocularis	CREB binding protein	0.0088	0.1182	0.1388
Brugia malayi	abnormal cell lineage protein 10 (Protein lin-10), putative	0.007	0.0888	0.1255
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0973	0.1376
Echinococcus granulosus	Smad4	0.0018	0.0025	0.003
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0015	0.0021
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0245	0.0346
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0064	0.0791	0.2743
Loa Loa (eye worm)	steroid hormone receptor	0.0032	0.0262	0.037
Plasmodium falciparum	thioredoxin reductase	0.0168	0.248	1
Plasmodium falciparum	mitochondrial import inner membrane translocase subunit TIM10, putative	0.0097	0.1318	0.5315
Loa Loa (eye worm)	hypothetical protein	0.005	0.0556	0.0785
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0262	0.037
Schistosoma mansoni	hypothetical protein	0.0108	0.1504	0.1766
Brugia malayi	MH2 domain containing protein	0.0018	0.0025	0.0036
Toxoplasma gondii	4'-phosphopantetheinyl transferase superfamily protein	0.005	0.0563	0.1952
Plasmodium vivax	dihydrolipoyl dehydrogenase, mitochondrial, putative	0.0058	0.0689	0.2777
Echinococcus granulosus	FTZ F1 alpha	0.0032	0.0262	0.0308
Schistosoma mansoni	hypothetical protein	0.005	0.0556	0.0653
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0032	0.0262	0.037
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0032	0.0262	0.0308
Loa Loa (eye worm)	hypothetical protein	0.0179	0.2669	0.3773
Brugia malayi	nuclear hormone receptor	0.0032	0.0262	0.037
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0192	0.2883	0.2883
Leishmania major	cytochrome p450-like protein	0.0016	0.0001	0.0002
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0032	0.0262	0.037
Brugia malayi	nuclear receptor NHR-88	0.0032	0.0262	0.037
Plasmodium vivax	thioredoxin reductase, putative	0.0168	0.248	1
Onchocerca volvulus		0.0032	0.0262	0.0022
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0018	0.0025	0.003
Loa Loa (eye worm)	MH2 domain-containing protein	0.0257	0.3947	0.5579
Schistosoma mansoni	smad	0.0018	0.0025	0.003
Trypanosoma brucei	dihydrolipoyl dehydrogenase	0.0058	0.0689	0.2777
Mycobacterium tuberculosis	Isocitrate lyase Icl (isocitrase) (isocitratase)	0.0627	1	1
Brugia malayi	hypothetical protein	0.0074	0.0949	0.1342
Loa Loa (eye worm)	hypothetical protein	0.0108	0.1504	0.2125
Mycobacterium tuberculosis	Probable conserved lipoprotein LpqF	0.0064	0.0792	0.0792
Schistosoma mansoni	hypothetical protein	0.0082	0.1079	0.1268
Brugia malayi	latrophilin 2 splice variant baaae	0.0108	0.1504	0.2125
Echinococcus granulosus	X box binding protein 1	0.0291	0.4504	0.529
Echinococcus granulosus	neuropeptide s receptor	0.0537	0.8514	0.9999
Loa Loa (eye worm)	voltage-dependent calcium channel	0.0023	0.0115	0.0163
Schistosoma mansoni	aldehyde dehydrogenase	0.0192	0.2883	0.3386
Schistosoma mansoni	hypothetical protein	0.002	0.0062	0.0073
Mycobacterium ulcerans	phosphopantetheinyl transferase, PptII	0.005	0.0563	0.0562
Plasmodium falciparum	glutathione reductase	0.0168	0.248	1
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0058	0.0689	0.0973
Loa Loa (eye worm)	cytochrome P450 family protein	0.0016	0.0001	0.0001
Echinococcus granulosus	expressed protein	0.0097	0.1318	0.1548
Trypanosoma cruzi	trypanothione reductase, putative	0.0168	0.248	1
Toxoplasma gondii	hypothetical protein	0.002	0.007	0.0242

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 1.46 uM	Inhibition of Mycobacterium tuberculosis isocitrate lyase	ChEMBL.	21840711
MIC (functional)	= 1.72 uM	Antimycobacterial activity against 6-weeks nutrient starved phase cultures of Mycobacterium tuberculosis H37Rv treated for 7 days measured after 4 weeks by agar dilution method	ChEMBL.	21840711
MIC (functional)	= 3.44 uM	Antimycobacterial activity against active log phase Mycobacterium tuberculosis H37Rv by agar dilution method	ChEMBL.	21840711

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: CHEMBL1818382

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1108262