TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 492.567 | Formula: C25H20N2O5S2
H donors: 3 H acceptors: 4 LogP: 5.06 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: O=C(CN1C(=S)S/C(=C\c2cccc(c2O)O)/C1=O)Nc1ccc(cc1)Oc1ccc(cc1)C
InChi: 1S/C25H20N2O5S2/c1-15-5-9-18(10-6-15)32-19-11-7-17(8-12-19)26-22(29)14-27-24(31)21(34-25(27)33)13-16-3-2-4-20(28)23(16)30/h2-13,28,30H,14H2,1H3,(H,26,29)/b21-13-
InChiKey: BXEYEGVRESMXSL-BKUYFWCQSA-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
Escherichia coli	1-deoxy-D-xylulose 5-phosphate reductoisomerase	Starlite/ChEMBL	References
Thermus thermophilus	Malate dehydrogenase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Trichomonas vaginalis	malate dehydrogenase, putative	Get druggable targets OG5_127410	All targets in OG5_127410
Trypanosoma congolense	cytosolic malate dehydrogenase	Get druggable targets OG5_127410	All targets in OG5_127410
Wolbachia endosymbiont of Brugia malayi	1-deoxy-D-xylulose 5-phosphate reductoisomerase	Get druggable targets OG5_130462	All targets in OG5_130462
Schistosoma japonicum	ko:K00026 malate dehydrogenase [EC1.1.1.37B], putative	Get druggable targets OG5_127410	All targets in OG5_127410
Mycobacterium leprae	PROBABLE 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE DXR (DXP REDUCTOISOMERASE) (1-DEOXYXYLULOSE-5-PHOSPHATE REDUCTOISOMERAS	Get druggable targets OG5_130462	All targets in OG5_130462
Trichomonas vaginalis	malate dehydrogenase, putative	Get druggable targets OG5_127410	All targets in OG5_127410
Loa Loa (eye worm)	malate dehydrogenase	Get druggable targets OG5_127410	All targets in OG5_127410
Entamoeba histolytica	malate dehydrogenase, putative	Get druggable targets OG5_127410	All targets in OG5_127410
Mycobacterium leprae	PROBABLE MALATE DEHYDROGENASE MDH	Get druggable targets OG5_127410	All targets in OG5_127410
Trypanosoma cruzi	cytosolic malate dehydrogenase, putative	Get druggable targets OG5_127410	All targets in OG5_127410
Schistosoma mansoni	malate dehydrogenase	Get druggable targets OG5_127410	All targets in OG5_127410
Giardia lamblia	Malate dehydrogenase	Get druggable targets OG5_127410	All targets in OG5_127410
Trypanosoma cruzi	cytosolic malate dehydrogenase, putative	Get druggable targets OG5_127410	All targets in OG5_127410
Mycobacterium ulcerans	malate dehydrogenase	Get druggable targets OG5_127410	All targets in OG5_127410
Trichomonas vaginalis	malate and lactate dehydrogenase, putative	Get druggable targets OG5_127410	All targets in OG5_127410
Trichomonas vaginalis	malate dehydrogenase, putative	Get druggable targets OG5_127410	All targets in OG5_127410
Leishmania major	cytosolic malate dehydrogenase	Get druggable targets OG5_127410	All targets in OG5_127410
Plasmodium berghei	1-deoxy-D-xylulose 5-phosphate reductoisomerase, putative	Get druggable targets OG5_130462	All targets in OG5_130462
Trichomonas vaginalis	malate dehydrogenase, putative	Get druggable targets OG5_127410	All targets in OG5_127410
Echinococcus multilocularis	cytosolic malate dehydrogenase	Get druggable targets OG5_127410	All targets in OG5_127410
Trichomonas vaginalis	malate dehydrogenase, putative	Get druggable targets OG5_127410	All targets in OG5_127410
Trichomonas vaginalis	malate dehydrogenase, putative	Get druggable targets OG5_127410	All targets in OG5_127410
Plasmodium vivax	1-deoxy-D-xylulose 5-phosphate reductoisomerase, putative	Get druggable targets OG5_130462	All targets in OG5_130462
Mycobacterium tuberculosis	Probable malate dehydrogenase Mdh	Get druggable targets OG5_127410	All targets in OG5_127410
Trichomonas vaginalis	malate and lactate dehydrogenase, putative	Get druggable targets OG5_127410	All targets in OG5_127410
Plasmodium yoelii	1-deoxy-D-xylulose 5-phosphate reductoisomerase	Get druggable targets OG5_130462	All targets in OG5_130462
Trichomonas vaginalis	malate dehydrogenase, putative	Get druggable targets OG5_127410	All targets in OG5_127410
Schistosoma mansoni	malate dehydrogenase	Get druggable targets OG5_127410	All targets in OG5_127410
Babesia bovis	1-deoxy-D-xylulose 5-phosphate reductoisomerase family protein	Get druggable targets OG5_130462	All targets in OG5_130462
Trypanosoma brucei gambiense	cytosolic malate dehydrogenase, putative	Get druggable targets OG5_127410	All targets in OG5_127410
Leishmania braziliensis	cytosolic malate dehydrogenase	Get druggable targets OG5_127410	All targets in OG5_127410
Entamoeba histolytica	malate dehydrogenase,cytoplasmic, putative	Get druggable targets OG5_127410	All targets in OG5_127410
Treponema pallidum	1-deoxy-D-xylulose 5-phosphate reductoisomerase	Get druggable targets OG5_130462	All targets in OG5_130462
Trichomonas vaginalis	malate dehydrogenase, putative	Get druggable targets OG5_127410	All targets in OG5_127410
Trichomonas vaginalis	malate and lactate dehydrogenase, putative	Get druggable targets OG5_127410	All targets in OG5_127410
Echinococcus granulosus	cytosolic malate dehydrogenase	Get druggable targets OG5_127410	All targets in OG5_127410
Brugia malayi	Malate dehydrogenase, cytoplasmic	Get druggable targets OG5_127410	All targets in OG5_127410
Mycobacterium ulcerans	1-deoxy-D-xylulose 5-phosphate reductoisomerase	Get druggable targets OG5_130462	All targets in OG5_130462
Chlamydia trachomatis	malate dehydrogenase	Get druggable targets OG5_127410	All targets in OG5_127410
Trichomonas vaginalis	malate dehydrogenase, putative	Get druggable targets OG5_127410	All targets in OG5_127410
Echinococcus granulosus	cytosolic malate dehydrogenase	Get druggable targets OG5_127410	All targets in OG5_127410
Leishmania mexicana	cytosolic malate dehydrogenase, putative	Get druggable targets OG5_127410	All targets in OG5_127410
Toxoplasma gondii	1-deoxy-D-xylulose 5-phosphate reductoisomerase, putative	Get druggable targets OG5_130462	All targets in OG5_130462
Trichomonas vaginalis	malate dehydrogenase, putative	Get druggable targets OG5_127410	All targets in OG5_127410
Plasmodium knowlesi	1-deoxy-D-xylulose 5-phosphate reductoisomerase, putative	Get druggable targets OG5_130462	All targets in OG5_130462
Echinococcus multilocularis	cytosolic malate dehydrogenase	Get druggable targets OG5_127410	All targets in OG5_127410
Plasmodium falciparum	1-deoxy-D-xylulose 5-phosphate reductoisomerase	Get druggable targets OG5_130462	All targets in OG5_130462
Trichomonas vaginalis	malate dehydrogenase, putative	Get druggable targets OG5_127410	All targets in OG5_127410
Trichomonas vaginalis	malate and lactate dehydrogenase, putative	Get druggable targets OG5_127410	All targets in OG5_127410
Trichomonas vaginalis	malate dehydrogenase, putative	Get druggable targets OG5_127410	All targets in OG5_127410
Neospora caninum	1-deoxy-D-xylulose 5-phosphate reductoisomerase, putative	Get druggable targets OG5_130462	All targets in OG5_130462
Leishmania infantum	cytosolic malate dehydrogenase	Get druggable targets OG5_127410	All targets in OG5_127410
Leishmania donovani	cytosolic malate dehydrogenase	Get druggable targets OG5_127410	All targets in OG5_127410
Mycobacterium tuberculosis	Probable 1-deoxy-D-xylulose 5-phosphate reductoisomerase Dxr (DXP reductoisomerase) (1-deoxyxylulose-5-phosphate reductoisomeras	Get druggable targets OG5_130462	All targets in OG5_130462
Theileria parva	1-deoxy-D-xylulose 5-phosphate reductoisomerase, putative	Get druggable targets OG5_130462	All targets in OG5_130462
Chlamydia trachomatis	1-deoxy-D-xylulose 5-phosphate reductoisomerase	Get druggable targets OG5_130462	All targets in OG5_130462
Trypanosoma brucei	cytosolic malate dehydrogenase	Get druggable targets OG5_127410	All targets in OG5_127410

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	lactate dehydrogenase.	Malate dehydrogenase	327 aa	345 aa	22.6 %
Onchocerca volvulus		Malate dehydrogenase	327 aa	322 aa	53.7 %
Loa Loa (eye worm)	hypothetical protein	Malate dehydrogenase	327 aa	342 aa	21.6 %
Echinococcus multilocularis	L lactate dehydrogenase B chain	Malate dehydrogenase	327 aa	267 aa	22.1 %
Echinococcus granulosus	L lactate dehydrogenase B chain	Malate dehydrogenase	327 aa	267 aa	22.1 %
Onchocerca volvulus		Malate dehydrogenase	327 aa	341 aa	22.6 %
Entamoeba histolytica	malate dehydrogenase, putative	Malate dehydrogenase	327 aa	315 aa	43.5 %
Echinococcus multilocularis	malate dehydrogenase 1b	Malate dehydrogenase	327 aa	353 aa	23.8 %
Schistosoma mansoni	malate dehydrogenase	Malate dehydrogenase	327 aa	367 aa	21.8 %
Echinococcus granulosus	malate dehydrogenase 1b	Malate dehydrogenase	327 aa	364 aa	24.2 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	histone acetyltransferase MYST2	0.0036	0.035	0.0624
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0189	0.3398	0.6054
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0023	0.0092	0.0163
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0027	0.0177	0.0315
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0779	0.1389
Mycobacterium leprae	PROBABLE HYDROLASE	0.0045	0.0535	0.0432
Brugia malayi	Matrixin family protein	0.0037	0.0373	0.1097
Echinococcus multilocularis	peregrin	0.0059	0.081	0.1443
Echinococcus multilocularis	L lactate dehydrogenase B chain	0.0022	0.0059	0.0106
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.0129	0.2196	0.3912
Schistosoma mansoni	malate dehydrogenase	0.0022	0.0059	0.0106
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.0129	0.2196	0.3912
Trypanosoma cruzi	hypothetical protein, conserved	0.0024	0.0107	0.1641
Trypanosoma brucei	malate dehydrogenase-related	0.0022	0.0059	0.0908
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.0058	0.0779	0.1389
Echinococcus multilocularis	acetylcholinesterase	0.0073	0.1082	0.1928
Loa Loa (eye worm)	hypothetical protein	0.0073	0.1082	0.1928
Onchocerca volvulus	Matrilysin homolog	0.0037	0.0373	0.1283
Toxoplasma gondii	lactate dehydrogenase LDH1	0.0022	0.0059	0.0059
Schistosoma mansoni	ADAM17 peptidase (M12 family)	0.0121	0.2053	0.3658
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0039	0.0398	0.0709
Echinococcus multilocularis	Blood coagulation inhibitor, Disintegrin	0.0076	0.115	0.2049
Leishmania major	malate dehydrogenase	0.0022	0.0059	0.0908
Echinococcus multilocularis	adam	0.0021	0.005	0.0089
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.0036	0.035	0.0624
Onchocerca volvulus		0.0027	0.0177	0.0573
Schistosoma mansoni	hypothetical protein	0.0053	0.0684	0.1218
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0373	0.0664
Trypanosoma cruzi	hypothetical protein, conserved	0.0024	0.0107	0.1641
Leishmania major	mitochondrial malate dehydrogenase	0.0022	0.0059	0.0908
Loa Loa (eye worm)	matrix metalloproteinase	0.0037	0.0373	0.0664
Echinococcus multilocularis	lactate dehydrogenase a	0.0022	0.0059	0.0106
Loa Loa (eye worm)	hypothetical protein	0.002	0.0036	0.0063
Brugia malayi	Bromodomain containing protein	0.0059	0.081	0.2384
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0154	0.0274
Trichomonas vaginalis	chromobox protein, putative	0.0028	0.0187	0.0534
Toxoplasma gondii	1-deoxy-D-xylulose 5-phosphate reductoisomerase, putative	0.052	1	1
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0107	0.0191
Toxoplasma gondii	PHD-finger domain-containing protein	0.0019	0.0005	0.0005
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0024	0.0107	0.0191
Mycobacterium leprae	PROBABLE 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE DXR (DXP REDUCTOISOMERASE) (1-DEOXYXYLULOSE-5-PHOSPHATE REDUCTOISOMERAS	0.052	1	1
Echinococcus granulosus	L lactate dehydrogenase B chain	0.0022	0.0059	0.0106
Brugia malayi	AF-10 protein	0.0019	0.0005	0.0014
Loa Loa (eye worm)	hypothetical protein	0.002	0.0019	0.0034
Loa Loa (eye worm)	hypothetical protein	0.0046	0.054	0.0962
Echinococcus multilocularis	snurportin 1	0.03	0.5612	1
Trichomonas vaginalis	chromobox protein, putative	0.0046	0.0555	0.1877
Trypanosoma cruzi	glycosomal malate dehydrogenase, putative	0.0022	0.0059	0.0908
Onchocerca volvulus		0.0037	0.0373	0.1283
Loa Loa (eye worm)	LBP/BPI/CETP family domain-containing protein	0.002	0.0019	0.0034
Trichomonas vaginalis	malate dehydrogenase, putative	0.0051	0.0653	0.2236
Loa Loa (eye worm)	acetylcholinesterase 1	0.0073	0.1082	0.1928
Schistosoma mansoni	hypothetical protein	0.0113	0.1881	0.3351
Echinococcus granulosus	adam 17 protease	0.0134	0.2295	0.4088
Brugia malayi	LBP / BPI / CETP family, N-terminal domain containing protein	0.0034	0.0309	0.0911
Schistosoma mansoni	bromodomain containing protein	0.0041	0.0444	0.0791
Trypanosoma brucei	importin beta-1 subunit, putative	0.0028	0.0189	0.2896
Toxoplasma gondii	HEAT repeat-containing protein	0.0028	0.0189	0.0189
Trichomonas vaginalis	malate dehydrogenase, putative	0.0051	0.0653	0.2236
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0139	0.2395	0.4267
Entamoeba histolytica	malate dehydrogenase, putative	0.0022	0.0059	0.0297
Entamoeba histolytica	malate dehydrogenase, putative	0.0051	0.0653	1
Echinococcus granulosus	peregrin	0.0059	0.081	0.1443
Trichomonas vaginalis	malate and lactate dehydrogenase, putative	0.0051	0.0653	0.2236
Echinococcus granulosus	lactate dehydrogenase protein	0.0022	0.0059	0.0106
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0153	0.2686	1
Loa Loa (eye worm)	hypothetical protein	0.0073	0.1082	0.1928
Trichomonas vaginalis	D-aminoacylase, putative	0.0024	0.0107	0.0241
Trypanosoma brucei	GTP-binding nuclear protein rtb2, putative	0.0021	0.0041	0.0629
Schistosoma mansoni	ran	0.0021	0.0041	0.0073
Loa Loa (eye worm)	LBP/BPI/CETP family domain-containing protein	0.002	0.0019	0.0034
Loa Loa (eye worm)	matrixin family protein	0.0083	0.1279	0.2279
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0021	0.0041	0.0629
Brugia malayi	LBP / BPI / CETP family, C-terminal domain containing protein	0.002	0.0019	0.0056
Loa Loa (eye worm)	hypothetical protein	0.002	0.0019	0.0034
Leishmania major	importin beta-1 subunit, putative	0.0023	0.0083	0.1272
Plasmodium vivax	hypothetical protein, conserved	0.0019	0.0005	0.0005
Onchocerca volvulus	Polycomb protein Sfmbt homolog	0.0032	0.0263	0.0883
Loa Loa (eye worm)	MBCTL1	0.0036	0.035	0.0624
Onchocerca volvulus		0.0032	0.0263	0.0883
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.002	0.0025	0.0045
Leishmania major	malate dehydrogenase, putative	0.0022	0.0059	0.0908
Trypanosoma cruzi	cytosolic malate dehydrogenase, putative	0.0051	0.0653	1
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0023	0.0083	0.1272
Plasmodium falciparum	1-deoxy-D-xylulose 5-phosphate reductoisomerase	0.052	1	1
Plasmodium vivax	hypothetical protein, conserved	0.0058	0.0779	0.0779
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.002	0.0019	0.0034
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0031	0.0245	0.0437
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0036	0.035	0.1031
Onchocerca volvulus		0.0034	0.0309	0.1053
Plasmodium vivax	hypothetical protein, conserved	0.0024	0.0107	0.0107
Loa Loa (eye worm)	jmjC domain-containing protein	0.0119	0.2005	0.3572
Schistosoma mansoni	hypothetical protein	0.0197	0.3552	0.6328
Plasmodium falciparum	GTP-binding nuclear protein RAN/TC4	0.0021	0.0041	0.0041
Trichomonas vaginalis	malate dehydrogenase, putative	0.004	0.0432	0.1428
Echinococcus granulosus	beta LACTamase domain containing family member	0.0024	0.0107	0.0191
Plasmodium falciparum	importin beta, putative	0.0028	0.0189	0.0189
Echinococcus granulosus	Jumonji AT rich interactive domain 1B	0.002	0.0025	0.0044
Trichomonas vaginalis	malate dehydrogenase, putative	0.0051	0.0653	0.2236
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0071	0.1046	0.1864
Echinococcus granulosus	acetylcholinesterase	0.0073	0.1082	0.1928
Brugia malayi	Matrixin family protein	0.0037	0.0373	0.1097
Brugia malayi	hypothetical protein	0.0021	0.005	0.0147
Onchocerca volvulus		0.0034	0.0309	0.1053
Echinococcus multilocularis	adam 17 protease	0.0121	0.2053	0.3658
Onchocerca volvulus		0.0034	0.0309	0.1053
Onchocerca volvulus		0.0034	0.0309	0.1053
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0373	0.0664
Schistosoma mansoni	malate dehydrogenase	0.0022	0.0059	0.0106
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0036	0.035	0.0624
Plasmodium vivax	SET domain protein, putative	0.002	0.0025	0.0025
Echinococcus granulosus	chromobox protein 1	0.0046	0.0555	0.0988
Trichomonas vaginalis	malate and lactate dehydrogenase, putative	0.0051	0.0653	0.2236
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0178	0.0318
Brugia malayi	F/Y-rich N-terminus family protein	0.0021	0.0044	0.0129
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0024	0.0107	0.0315
Echinococcus multilocularis	cytosolic malate dehydrogenase	0.0051	0.0653	0.1163
Echinococcus granulosus	malate dehydrogenase	0.0022	0.0059	0.0106
Trichomonas vaginalis	malate dehydrogenase, putative	0.0051	0.0653	0.2236
Onchocerca volvulus	Alhambra homolog	0.0058	0.0779	0.2757
Loa Loa (eye worm)	matrixin family protein	0.009	0.1428	0.2544
Brugia malayi	Heterochromatin protein 1	0.0046	0.0555	0.1632
Echinococcus granulosus	matrix metallopeptidase 7 M10 family	0.0136	0.2334	0.4159
Brugia malayi	metalloprotease disintegrin 16 with thrombospondin type I motif	0.0057	0.0773	0.2276
Schistosoma mansoni	chromobox protein	0.0046	0.0555	0.0988
Echinococcus multilocularis	lactate dehydrogenase a	0.0022	0.0059	0.0106
Schistosoma mansoni	hypothetical protein	0.0113	0.1881	0.3351
Echinococcus granulosus	carboxylesterase 5A	0.0073	0.1082	0.1928
Brugia malayi	PHD-finger family protein	0.002	0.0029	0.0086
Loa Loa (eye worm)	hypothetical protein	0.0255	0.4723	0.8415
Trypanosoma brucei	mitochondrial malate dehydrogenase	0.0022	0.0059	0.0908
Schistosoma mansoni	hypothetical protein	0.0058	0.0779	0.1389
Echinococcus multilocularis	PHD finger protein rhinoceros	0.0058	0.0779	0.1389
Trypanosoma brucei	PHD-zinc-finger like domain containing protein, putative	0.0019	0.0005	0.0072
Echinococcus multilocularis	carboxylesterase 5A	0.0073	0.1082	0.1928
Echinococcus granulosus	lactate dehydrogenase a	0.0022	0.0059	0.0106
Entamoeba histolytica	hypothetical protein	0.0023	0.0083	0.0686
Brugia malayi	GTP-binding nuclear protein RAN/TC4	0.0021	0.0041	0.0121
Mycobacterium leprae	PROBABLE MALATE DEHYDROGENASE MDH	0.0051	0.0653	0.0552
Loa Loa (eye worm)	LBP/BPI/CETP family domain-containing protein	0.0034	0.0309	0.0551
Brugia malayi	Matrixin family protein	0.0037	0.0373	0.1097
Echinococcus multilocularis	a disintegrin and metalloproteinase with	0.0057	0.0773	0.1378
Trichomonas vaginalis	penicillin-binding protein, putative	0.0024	0.0107	0.0241
Schistosoma mansoni	L-lactate dehydrogenase	0.0022	0.0059	0.0106
Echinococcus granulosus	malate dehydrogenase	0.0022	0.0059	0.0106
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0107	0.0191
Echinococcus granulosus	a disintegrin and metalloproteinase with	0.0057	0.0773	0.1378
Brugia malayi	RNA, U transporter 1	0.008	0.1222	0.3598
Schistosoma mansoni	ADAMTS5 peptidase (M12 family)	0.0057	0.0773	0.1378
Plasmodium vivax	lactate/malate dehydrogenase, putative	0.0022	0.0059	0.0059
Echinococcus granulosus	adam	0.0021	0.005	0.0089
Echinococcus multilocularis	importin subunit beta 1	0.0028	0.0189	0.0337
Leishmania major	cytosolic malate dehydrogenase	0.0051	0.0653	1
Echinococcus multilocularis	lactate dehydrogenase protein	0.0022	0.0059	0.0106
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0107	0.0191
Brugia malayi	beta-lactamase	0.0024	0.0107	0.0315
Brugia malayi	mbt repeat family protein	0.0032	0.0263	0.0773
Toxoplasma gondii	malate dehydrogenase MDH	0.0022	0.0059	0.0059
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0036	0.035	0.0624
Echinococcus granulosus	SAM and MBT domain containing protein	0.0032	0.0263	0.0468
Brugia malayi	LBP / BPI / CETP family, C-terminal domain containing protein	0.0034	0.0309	0.0911
Loa Loa (eye worm)	PHD-finger family protein	0.0058	0.0779	0.1389
Brugia malayi	LBP / BPI / CETP family, C-terminal domain containing protein	0.002	0.0019	0.0056
Trichomonas vaginalis	D-aminoacylase, putative	0.0024	0.0107	0.0241
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0263	0.0468
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0189	0.0337
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.0036	0.035	0.0624
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0024	0.0107	0.0191
Brugia malayi	LBP / BPI / CETP family, C-terminal domain containing protein	0.002	0.0019	0.0056
Brugia malayi	Probable malate dehydrogenase, mitochondrial precursor	0.0022	0.0059	0.0174
Trichomonas vaginalis	malate dehydrogenase, putative	0.0051	0.0653	0.2236
Schistosoma mansoni	adam (A disintegrin and metalloprotease	0.0021	0.005	0.0089
Schistosoma mansoni	chromobox protein	0.0046	0.0555	0.0988
Echinococcus multilocularis	lactate dehydrogenase a	0.0022	0.0059	0.0106
Echinococcus multilocularis	cytosolic malate dehydrogenase	0.0051	0.0653	0.1163
Plasmodium vivax	GTP-binding nuclear protein RAN/TC4, putative	0.0021	0.0041	0.0041
Toxoplasma gondii	ABC1 family protein	0.0024	0.0107	0.0107
Echinococcus granulosus	polycomb protein SCMH1	0.0032	0.0263	0.0468
Trypanosoma cruzi	cytosolic malate dehydrogenase, putative	0.0051	0.0653	1
Onchocerca volvulus		0.0034	0.0309	0.1053
Trypanosoma brucei	hypothetical protein, conserved	0.0024	0.0107	0.1641
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0309	0.0551
Trichomonas vaginalis	conserved hypothetical protein	0.0026	0.0148	0.039
Onchocerca volvulus		0.0024	0.0107	0.032
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.0032	0.0263	0.0468
Echinococcus granulosus	lysine specific demethylase 5A	0.0071	0.1046	0.1864
Onchocerca volvulus		0.0034	0.0309	0.1053
Brugia malayi	Pre-SET motif family protein	0.0139	0.2395	0.7049
Schistosoma mansoni	matrix metallopeptidase-7 (M10 family)	0.0037	0.0373	0.0664
Schistosoma mansoni	malate dehydrogenase	0.0051	0.0653	0.1163
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0021	0.0041	0.0073
Trichomonas vaginalis	conserved hypothetical protein	0.0026	0.0148	0.039
Trichomonas vaginalis	D-aminoacylase, putative	0.0024	0.0107	0.0241
Echinococcus multilocularis	Jumonji, AT rich interactive domain 1B	0.002	0.0025	0.0044
Onchocerca volvulus		0.0024	0.0107	0.032
Toxoplasma gondii	PHD-finger domain-containing protein	0.0058	0.0779	0.0779
Trichomonas vaginalis	penicillin-binding protein, putative	0.0024	0.0107	0.0241
Brugia malayi	PHD-finger family protein	0.0058	0.0779	0.2294
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0039	0.0398	0.0709
Onchocerca volvulus	Matrilysin homolog	0.0083	0.1279	0.4569
Onchocerca volvulus		0.0034	0.0309	0.1053
Echinococcus granulosus	PHD finger protein rhinoceros	0.0058	0.0779	0.1389
Schistosoma mansoni	matrix metallopeptidase-9 (M10 family)	0.0055	0.0716	0.1276
Onchocerca volvulus		0.0158	0.2777	1
Echinococcus granulosus	snurportin 1	0.03	0.5612	1
Entamoeba histolytica	malate dehydrogenase,cytoplasmic, putative	0.0051	0.0653	1
Trichomonas vaginalis	malate dehydrogenase, putative	0.0051	0.0653	0.2236
Schistosoma mansoni	sex comb on midleg homolog	0.0032	0.0263	0.0468
Trypanosoma brucei	importin beta-1 subunit, putative	0.0028	0.0189	0.2896
Brugia malayi	hypothetical protein	0.002	0.0019	0.0056
Mycobacterium tuberculosis	Probable peptidoglycan hydrolase	0.0045	0.0535	0.1659
Brugia malayi	Matrixin family protein	0.009	0.1428	0.4202
Trichomonas vaginalis	malate and lactate dehydrogenase, putative	0.0051	0.0653	0.2236
Schistosoma mansoni	jumonji domain containing protein	0.015	0.2623	0.4674
Onchocerca volvulus		0.002	0.0036	0.006
Loa Loa (eye worm)	malate dehydrogenase	0.0022	0.0059	0.0106
Echinococcus multilocularis	SAM and MBT domain containing protein	0.0032	0.0263	0.0468
Onchocerca volvulus	Matrix metalloproteinase homolog	0.0083	0.1279	0.4569
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0148	0.0263
Plasmodium vivax	malate dehydrogenase, putative	0.0022	0.0059	0.0059
Loa Loa (eye worm)	beta-lactamase	0.0024	0.0107	0.0191
Echinococcus multilocularis	polycomb protein SCMH1	0.0032	0.0263	0.0468
Trypanosoma brucei	cytosolic malate dehydrogenase	0.0051	0.0653	1
Schistosoma mansoni	sex comb on midleg homolog	0.0032	0.0263	0.0468
Brugia malayi	chromobox protein homolog 3	0.0026	0.0148	0.0435
Brugia malayi	Carboxylesterase family protein	0.0073	0.1082	0.3184
Trichomonas vaginalis	chromobox protein, putative	0.0046	0.0555	0.1877
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.0245	0.0437
Brugia malayi	Bromodomain containing protein	0.0048	0.0595	0.1752
Loa Loa (eye worm)	mbt repeat family protein	0.0032	0.0263	0.0468
Giardia lamblia	PHD finger protein 15	0.0058	0.0779	1
Plasmodium vivax	1-deoxy-D-xylulose 5-phosphate reductoisomerase, putative	0.052	1	1
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0123	0.0219
Loa Loa (eye worm)	hypothetical protein	0.0036	0.035	0.0624
Brugia malayi	Carboxylesterase family protein	0.0073	0.1082	0.3184
Schistosoma mansoni	ran	0.0021	0.0041	0.0073
Brugia malayi	Importin beta-1 subunit	0.0028	0.0189	0.0556
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0107	0.0191
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.0083	0.0153
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0535	0.0953
Brugia malayi	Matrixin family protein	0.0037	0.0373	0.1097
Onchocerca volvulus		0.0024	0.0107	0.032
Echinococcus multilocularis	chromobox protein 1	0.0046	0.0555	0.0988
Echinococcus multilocularis	matrix metallopeptidase 7 (M10 family)	0.0136	0.2334	0.4159
Brugia malayi	lactate dehydrogenase.	0.0022	0.0059	0.0174
Trichomonas vaginalis	malate dehydrogenase, putative	0.0051	0.0653	0.2236
Trichomonas vaginalis	importin beta-1, putative	0.0023	0.0083	0.0153
Plasmodium falciparum	lactate dehydrogenase, putative	0.0022	0.0059	0.0059
Brugia malayi	Malate dehydrogenase, cytoplasmic	0.0051	0.0653	0.1921
Echinococcus granulosus	cytosolic malate dehydrogenase	0.0051	0.0653	0.1163
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0059	0.0106
Echinococcus granulosus	histone lysine methyltransferase setb	0.0031	0.0245	0.0437
Toxoplasma gondii	GTP-binding nuclear protein ran/tc4	0.0021	0.0041	0.0041
Trichomonas vaginalis	esterase, putative	0.0024	0.0107	0.0241
Trichomonas vaginalis	chromobox protein, putative	0.0028	0.0187	0.0534
Trypanosoma cruzi	malate dehydrogenase, putative	0.0022	0.0059	0.0908
Trypanosoma brucei	PHD-zinc-finger like domain containing protein, putative	0.0019	0.0005	0.0072
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0026	0.0148	0.0467
Echinococcus multilocularis	chromobox protein 1	0.0046	0.0555	0.0988
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0021	0.0041	0.0629
Brugia malayi	Matrix metalloprotease, N-terminal domain containing protein	0.0045	0.0535	0.1574
Mycobacterium tuberculosis	Probable 1-deoxy-D-xylulose 5-phosphate reductoisomerase Dxr (DXP reductoisomerase) (1-deoxyxylulose-5-phosphate reductoisomeras	0.0125	0.2123	0.7816
Echinococcus multilocularis	malate dehydrogenase	0.0022	0.0059	0.0106
Leishmania major	glycosomal malate dehydrogenase	0.0022	0.0059	0.0908
Plasmodium falciparum	L-lactate dehydrogenase	0.0022	0.0059	0.0059
Brugia malayi	Hemopexin family protein	0.0053	0.0684	0.2012
Loa Loa (eye worm)	hypothetical protein	0.002	0.0029	0.0052
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0107	0.0191
Echinococcus granulosus	jumonji domain containing protein	0.008	0.123	0.2192
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.03	0.5612	1
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0021	0.0041	0.0073
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0028	0.0187	0.061
Brugia malayi	beta-lactamase family protein	0.0024	0.0107	0.0315
Plasmodium falciparum	conserved Plasmodium membrane protein, unknown function	0.0019	0.0005	0.0005
Schistosoma mansoni	malate dehydrogenase	0.0051	0.0653	0.1163
Toxoplasma gondii	lactate dehydrogenase LDH2	0.0022	0.0059	0.0059
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0107	0.0191
Giardia lamblia	Malate dehydrogenase	0.0051	0.0653	0.8285
Wolbachia endosymbiont of Brugia malayi	1-deoxy-D-xylulose 5-phosphate reductoisomerase	0.052	1	1
Plasmodium vivax	importin-beta 2, putative	0.0028	0.0189	0.0189
Echinococcus multilocularis	geminin	0.0113	0.1881	0.3351
Brugia malayi	hypothetical protein	0.002	0.0019	0.0056
Trypanosoma cruzi	malate dehydrogenase, putative	0.0022	0.0059	0.0908
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0019	0.0011	0.0019
Brugia malayi	jmjC domain containing protein	0.0071	0.1046	0.3079
Trypanosoma cruzi	glycosomal malate dehydrogenase, putative	0.0022	0.0059	0.0908
Trypanosoma cruzi	mitochondrial malate dehydrogenase, putative	0.0022	0.0059	0.0908
Loa Loa (eye worm)	hypothetical protein	0.0099	0.1602	0.2854
Trypanosoma brucei	glycosomal malate dehydrogenase	0.0022	0.0059	0.0908
Echinococcus granulosus	acetylcholinesterase	0.0073	0.1082	0.1928
Echinococcus multilocularis	malate dehydrogenase	0.0022	0.0059	0.0106
Leishmania major	GTP-binding protein, putative	0.0021	0.0041	0.0629
Leishmania major	hypothetical protein, conserved	0.0024	0.0107	0.1641
Echinococcus multilocularis	lysine specific demethylase 5A	0.007	0.1021	0.182
Brugia malayi	Bromodomain containing protein	0.0025	0.0122	0.036
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.002	0.0025	0.0025
Echinococcus multilocularis	jumonji domain containing protein	0.008	0.123	0.2192
Loa Loa (eye worm)	hypothetical protein	0.002	0.0019	0.0034
Schistosoma mansoni	hypothetical protein	0.03	0.5612	1
Echinococcus granulosus	geminin	0.0113	0.1881	0.3351
Mycobacterium ulcerans	malate dehydrogenase	0.0051	0.0653	0.0552
Trichomonas vaginalis	malate and lactate dehydrogenase, putative	0.0051	0.0653	0.2236
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0373	0.0664
Onchocerca volvulus		0.0053	0.0684	0.241
Echinococcus granulosus	chromobox protein 1	0.0046	0.0555	0.0988
Loa Loa (eye worm)	hypothetical protein	0.002	0.0019	0.0034
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0071	0.1046	0.1864
Trichomonas vaginalis	malate dehydrogenase, putative	0.0051	0.0653	0.2236
Echinococcus granulosus	importin subunit beta 1	0.0028	0.0189	0.0337
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0245	0.0437
Schistosoma mansoni	importin beta-1	0.0028	0.0189	0.0337
Plasmodium falciparum	phd finger protein, putative	0.0058	0.0779	0.0779
Treponema pallidum	1-deoxy-D-xylulose 5-phosphate reductoisomerase	0.052	1	0.5
Echinococcus multilocularis	acetylcholinesterase	0.0073	0.1082	0.1928
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0023	0.0092	0.0163
Echinococcus granulosus	lactate dehydrogenase a	0.0022	0.0059	0.0106
Plasmodium falciparum	malate dehydrogenase	0.0022	0.0059	0.0059
Toxoplasma gondii	PHD-finger domain-containing protein	0.0058	0.0779	0.0779
Trichomonas vaginalis	malate dehydrogenase, putative	0.0022	0.0059	0.0066
Brugia malayi	beta-lactamase family protein	0.0024	0.0107	0.0315
Brugia malayi	jmjC domain containing protein	0.0189	0.3398	1
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0024	0.0107	0.0191
Brugia malayi	mbt repeat family protein	0.0032	0.0263	0.0773
Toxoplasma gondii	WD domain, G-beta repeat-containing protein	0.0019	0.0005	0.0005
Brugia malayi	LBP / BPI / CETP family, N-terminal domain containing protein	0.0034	0.0309	0.0911
Schistosoma mansoni	L-lactate dehydrogenase	0.0022	0.0059	0.0106
Loa Loa (eye worm)	hypothetical protein	0.002	0.0019	0.0034
Schistosoma mansoni	hypothetical protein	0.0019	0.0005	0.0008
Mycobacterium ulcerans	1-deoxy-D-xylulose 5-phosphate reductoisomerase	0.052	1	1
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0024	0.0107	0.0191
Trichomonas vaginalis	malate dehydrogenase, putative	0.0051	0.0653	0.2236
Mycobacterium ulcerans	hydrolase	0.0045	0.0535	0.0432
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.0021	0.0041	0.0073
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0189	0.3398	0.6054
Echinococcus granulosus	Blood coagulation inhibitor Disintegrin	0.0076	0.115	0.2049
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.0083	0.0153
Echinococcus granulosus	cytosolic malate dehydrogenase	0.0051	0.0653	0.1163
Trichomonas vaginalis	set domain proteins, putative	0.0158	0.2777	1
Trichomonas vaginalis	malate dehydrogenase, putative	0.0051	0.0653	0.2236
Loa Loa (eye worm)	malate dehydrogenase	0.0051	0.0653	0.1163
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0073	0.1082	0.1928
Loa Loa (eye worm)	carboxylesterase	0.0073	0.1082	0.1928
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.0245	0.0437
Leishmania major	malate dehydrogenase, putative	0.0022	0.0059	0.0908
Loa Loa (eye worm)	jmjC domain-containing protein	0.0071	0.1046	0.1864
Plasmodium vivax	lactate dehydrogenase	0.0022	0.0059	0.0059
Onchocerca volvulus		0.0034	0.0309	0.1053
Brugia malayi	Pre-SET motif family protein	0.002	0.0025	0.0075
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.002	0.0025	0.0045
Mycobacterium tuberculosis	Probable malate dehydrogenase Mdh	0.0051	0.0653	0.2116
Loa Loa (eye worm)	heterochromatin protein 1	0.0046	0.0555	0.0988
Trichomonas vaginalis	malate dehydrogenase, putative	0.0051	0.0653	0.2236

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 1 uM	Inhibition of Thermus flavus MDH pre-incubated for 4 mins before reaction initiation in presence of OAA and NAPH in absence of 0.01% Triton X100 by UV-Vis spectrophotometry	ChEMBL.	24890653
IC50 (binding)	= 3.6 uM	Inhibition of His-tagged Escherichia coli DXR pre-incubated for 2 mins before reaction initiation in presence of 160 uM NADPH in absence of 0.01% Triton X100	ChEMBL.	24890653
Inhibition (binding)	< 5 %	Inhibition of His-tagged Escherichia coli DXR at 20 uM pre-incubated for 2 mins before reaction initiation in presence of 160 uM NADPH in presence of 0.01% Triton X100	ChEMBL.	24890653
Inhibition (binding)	< 5 %	Inhibition of Thermus flavus MDH at 10 uM pre-incubated for 4 mins before reaction initiation in presence of OAA and NAPH in presence of 0.01% Triton X100 by UV-Vis spectrophotometry	ChEMBL.	24890653
Inhibition (binding)	= 38 %	Inhibition of His-tagged Escherichia coli DXR at 6 uM pre-incubated for 2 mins before reaction initiation in presence of 160 uM NADPH	ChEMBL.	24890653
Inhibition (binding)	= 60 %	Inhibition of His-tagged Escherichia coli DXR at 6 uM pre-incubated for 2 mins before reaction initiation in absence of 160 uM NADPH	ChEMBL.	24890653

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: CHEMBL3309760

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 916538