TDR Targets

Basic information

Technical information

TDR Targets ID: 1447506
Name: N,N-diethyl-2-[[5-(2-phenylethyl)-[1,2,4]tria zino[5,6-b]indol-3-yl]sulfanyl]ethanamine
MW: 405.559 | Formula: C23H27N5S
H donors: 0 H acceptors: 3 LogP: 4.54 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: CCN(CCSc1nnc2c(n1)n(CCc1ccccc1)c1c2cccc1)CC
InChi: 1S/C23H27N5S/c1-3-27(4-2)16-17-29-23-24-22-21(25-26-23)19-12-8-9-13-20(19)28(22)15-14-18-10-6-5-7-11-18/h5-13H,3-4,14-17H2,1-2H3
InChiKey: DTNJKCOOYBPVST-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

N,N-diethyl-2-[[5-(2-phenylethyl)-[1,2,4]triazino[5,6-b]indol-3-yl]thio]ethanamine
diethyl-[2-[[5-(2-phenylethyl)-[1,2,4]triazino[5,6-b]indol-3-yl]thio]ethyl]amine

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references
Schistosoma mansoni	Thioredoxin glutathione reductase	Starlite/ChEMBL	No references
Homo sapiens	EYA transcriptional coactivator and phosphatase 2	Starlite/ChEMBL	No references
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references
Escherichia coli	penicillin-binding protein	Starlite/ChEMBL	No references
Homo sapiens	muscleblind-like splicing regulator 1	Starlite/ChEMBL	No references
Homo sapiens	lysine (K)-specific methyltransferase 2A	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Cryptosporidium parvum	thioredoxin reductase 1	Get druggable targets OG5_126785	All targets in OG5_126785
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Neospora caninum	Glutathione reductase, related	Get druggable targets OG5_126785	All targets in OG5_126785
Schistosoma japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	Get druggable targets OG5_131088	All targets in OG5_131088
Babesia bovis	thiodoxin reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Brugia malayi	hypothetical protein	Get druggable targets OG5_129664	All targets in OG5_129664
Plasmodium berghei	thioredoxin reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Brugia malayi	Muscleblind-like protein	Get druggable targets OG5_132352	All targets in OG5_132352
Schistosoma japonicum	ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative	Get druggable targets OG5_130642	All targets in OG5_130642
Schistosoma japonicum	ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative	Get druggable targets OG5_126785	All targets in OG5_126785
Brugia malayi	glutathione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Leishmania major	trypanothione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Candida albicans	similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase	Get druggable targets OG5_126785	All targets in OG5_126785
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_129664	All targets in OG5_129664
Plasmodium vivax	thioredoxin reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Schistosoma japonicum	ko:K01104 protein-tyrosine phosphatase [EC3.1.3.48], putative	Get druggable targets OG5_129664	All targets in OG5_129664
Leishmania mexicana	trypanothione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Neospora caninum	Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a	Get druggable targets OG5_130642	All targets in OG5_130642
Neospora caninum	MGC84926 protein, related	Get druggable targets OG5_126785	All targets in OG5_126785
Plasmodium knowlesi	glutathione reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Loa Loa (eye worm)	glutathione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Leishmania donovani	trypanothione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	Get druggable targets OG5_126785	All targets in OG5_126785
Brugia malayi	Thioredoxin reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Trypanosoma brucei gambiense	trypanothione reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Toxoplasma gondii	histone lysine methyltransferase SET1	Get druggable targets OG5_130642	All targets in OG5_130642
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	thioredoxin glutathione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Schistosoma mansoni	mixed-lineage leukemia protein mll	Get druggable targets OG5_130642	All targets in OG5_130642
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Cryptosporidium hominis	thioredoxin reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Echinococcus multilocularis	thioredoxin glutathione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	muscleblind protein	Get druggable targets OG5_132352	All targets in OG5_132352
Plasmodium yoelii	thioredoxin reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Trypanosoma brucei	trypanothione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132352	All targets in OG5_132352
Toxoplasma gondii	thioredoxin reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Schistosoma mansoni	eyes absent homolog	Get druggable targets OG5_129664	All targets in OG5_129664
Echinococcus multilocularis	muscleblind protein 1	Get druggable targets OG5_132352	All targets in OG5_132352
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_129664	All targets in OG5_129664
Trypanosoma cruzi	trypanothione reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Mycobacterium tuberculosis	Possible penicillin-binding protein	Get druggable targets OG5_149948	All targets in OG5_149948
Echinococcus granulosus	muscleblind protein	Get druggable targets OG5_132352	All targets in OG5_132352
Theileria parva	thioredoxin reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Leishmania infantum	trypanothione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Plasmodium yoelii	glutathione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Plasmodium vivax	glutathione reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Plasmodium falciparum	thioredoxin reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Plasmodium knowlesi	thioredoxin reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Candida albicans	similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase	Get druggable targets OG5_126785	All targets in OG5_126785
Loa Loa (eye worm)	thioredoxin reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Trypanosoma congolense	trypanothione reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132352	All targets in OG5_132352
Leishmania braziliensis	trypanothione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Plasmodium falciparum	glutathione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Plasmodium berghei	glutathione reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Plasmodium falciparum	dihydrolipoyl dehydrogenase, apicoplast	Thioredoxin glutathione reductase	598 aa	513 aa	25.0 %
Schistosoma mansoni	GTP-binding protein alpha subunit gna	GNAS complex locus	394 aa	450 aa	28.7 %
Neospora caninum	Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related	Thioredoxin glutathione reductase	598 aa	512 aa	28.3 %
Plasmodium berghei	dihydrolipoyl dehydrogenase, apicoplast, putative	Thioredoxin glutathione reductase	598 aa	538 aa	25.3 %
Plasmodium yoelii	dihydrolipoamide dehydrogenase	Thioredoxin glutathione reductase	598 aa	537 aa	24.2 %
Plasmodium vivax	dihydrolipoyl dehydrogenase, apicoplast, putative	Thioredoxin glutathione reductase	598 aa	521 aa	21.5 %
Plasmodium knowlesi	dihydrolipoyl dehydrogenase, apicoplast, putative	Thioredoxin glutathione reductase	598 aa	518 aa	22.0 %
Neospora caninum	hypothetical protein	Thioredoxin glutathione reductase	598 aa	485 aa	30.5 %
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %
Neospora caninum	glutathione reductase, putative	Thioredoxin glutathione reductase	598 aa	532 aa	34.6 %
Toxoplasma gondii	NADPH-glutathione reductase	Thioredoxin glutathione reductase	598 aa	555 aa	33.5 %
Onchocerca volvulus		Thioredoxin glutathione reductase	598 aa	533 aa	50.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Leishmania major	2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein	0.0016	0.0295	0.0637
Leishmania major	malate dehydrogenase, putative	0.0038	0.1126	0.318
Leishmania major	cytosolic malate dehydrogenase	0.0038	0.1126	0.318
Echinococcus multilocularis	lactate dehydrogenase a	0.0098	0.3355	0.5228
Loa Loa (eye worm)	hypothetical protein	0.0043	0.132	0.1955
Echinococcus multilocularis	muscleblind protein	0.018	0.6392	1
Echinococcus multilocularis	sarco:endoplasmic reticulum calcium ATPase	0.001	0.0087	0.0093
Brugia malayi	beta-lactamase family protein	0.0043	0.132	0.1955
Echinococcus granulosus	cation transporting atpase worm	0.001	0.0087	0.0093
Plasmodium falciparum	lactate dehydrogenase, putative	0.0038	0.1126	0.318
Onchocerca volvulus		0.0035	0.0994	0.7356
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0016	0.0295	0.0524
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0019	0.0415	0.0607
Trichomonas vaginalis	malate dehydrogenase, putative	0.0038	0.1126	0.8535
Schistosoma mansoni	eyes absent homolog	0.0106	0.3651	0.7103
Trypanosoma cruzi	mitochondrial malate dehydrogenase, putative	0.0038	0.1126	0.7908
Plasmodium vivax	thioredoxin reductase, putative	0.0046	0.1401	0.4021
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0043	0.132	0.1243
Echinococcus multilocularis	malate dehydrogenase	0.0038	0.1126	0.1726
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.1755	0.3386
Loa Loa (eye worm)	hypothetical protein	0.0041	0.1234	0.1818
Echinococcus granulosus	cytosolic malate dehydrogenase	0.0038	0.1126	0.1726
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.132	0.9379
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0019	0.0415	0.0607
Toxoplasma gondii	lactate dehydrogenase LDH1	0.0098	0.3355	1
Echinococcus multilocularis	phosphoserine phosphatase	0.001	0.0087	0.0093
Trichomonas vaginalis	malate dehydrogenase, putative	0.0038	0.1126	0.8535
Trypanosoma cruzi	cytosolic malate dehydrogenase, putative	0.0038	0.1126	0.7908
Trypanosoma cruzi	malate dehydrogenase, putative	0.0038	0.1126	0.7908
Echinococcus granulosus	phospholipid transporting ATPase IIB	0.001	0.0087	0.0093
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.1755	0.2646
Loa Loa (eye worm)	hypothetical protein	0.0106	0.3651	0.5653
Brugia malayi	lactate dehydrogenase.	0.0098	0.3355	0.5184
Trichomonas vaginalis	cation-transporting ATPase, putative	0.001	0.0087	0.0659
Onchocerca volvulus		0.0043	0.132	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.132	0.1955
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0046	0.1401	0.1326
Echinococcus granulosus	lactate dehydrogenase protein	0.0098	0.3355	0.5228
Trypanosoma cruzi	trypanothione reductase, putative	0.0046	0.1401	1
Mycobacterium tuberculosis	Conserved protein	0.0043	0.132	0.1243
Schistosoma mansoni	cation-transporting atpase worm	0.001	0.0087	0.0116
Brugia malayi	beta-lactamase family protein	0.0043	0.132	0.1955
Mycobacterium ulcerans	flavoprotein disulfide reductase	0.0016	0.0295	0.169
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.132	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.1234	0.1818
Leishmania major	malate dehydrogenase, putative	0.0098	0.3355	1
Echinococcus granulosus	beta LACTamase domain containing family member	0.0043	0.132	0.203
Trichomonas vaginalis	cation-transporting ATPase, putative	0.001	0.0087	0.0659
Echinococcus multilocularis	lactate dehydrogenase a	0.0098	0.3355	0.5228
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.132	1
Trichomonas vaginalis	mercuric reductase, putative	0.0016	0.0295	0.2238
Trichomonas vaginalis	ATPase, class I, type 8B, putative	0.001	0.0087	0.0659
Echinococcus multilocularis	phosphoserine phosphatase	0.001	0.0087	0.0093
Loa Loa (eye worm)	hypothetical protein	0.0043	0.132	0.1955
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0415	0.052
Brugia malayi	beta-lactamase	0.0043	0.132	0.1955
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0011	0.0106	0.0123
Echinococcus multilocularis	phosphoserine phosphatase	0.001	0.0087	0.0093
Echinococcus multilocularis	L lactate dehydrogenase	0.006	0.1938	0.3001
Toxoplasma gondii	NADPH-glutathione reductase	0.0016	0.0295	0.0637
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.132	0.2532
Echinococcus multilocularis	cytosolic malate dehydrogenase	0.0038	0.1126	0.1726
Trypanosoma brucei	mitochondrial malate dehydrogenase	0.0038	0.1126	0.7908
Echinococcus granulosus	malate dehydrogenase	0.0038	0.1126	0.1726
Echinococcus granulosus	malate dehydrogenase	0.0038	0.1126	0.1726
Echinococcus multilocularis	cation transporting ATPase 13A1	0.001	0.0087	0.0093
Echinococcus granulosus	cytosolic malate dehydrogenase	0.0038	0.1126	0.1726
Schistosoma mansoni	cation-transporting atpase worm	0.001	0.0087	0.0116
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0016	0.0295	0.1585
Trypanosoma cruzi	trypanothione reductase, putative	0.0016	0.0295	0.1585
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0043	0.132	0.1955
Schistosoma mansoni	type V p-type atpase isoform	0.001	0.0087	0.0116
Trichomonas vaginalis	malate dehydrogenase, putative	0.0038	0.1126	0.8535
Plasmodium falciparum	glutathione reductase	0.0016	0.0295	0.0637
Loa Loa (eye worm)	hypothetical protein	0.0043	0.132	0.1955
Leishmania major	malate dehydrogenase	0.0038	0.1126	0.318
Mycobacterium tuberculosis	Conserved protein	0.0043	0.132	0.1243
Brugia malayi	Latrophilin receptor protein 2	0.0019	0.0415	0.052
Trypanosoma brucei	malate dehydrogenase-related	0.0038	0.1126	0.7908
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.0016	0.0295	0.2004
Echinococcus multilocularis	phosphoserine phosphatase	0.001	0.0087	0.0093
Echinococcus multilocularis	cpg binding protein	0.0037	0.1067	0.1633
Toxoplasma gondii	ABC1 family protein	0.0043	0.132	0.3772
Trypanosoma cruzi	glycosomal malate dehydrogenase, putative	0.0038	0.1126	0.7908
Mycobacterium tuberculosis	Probable reductase	0.0104	0.3569	0.3513
Brugia malayi	F/Y-rich N-terminus family protein	0.0011	0.0101	0.0023
Echinococcus multilocularis	GPCR, family 2	0.0019	0.0415	0.0607
Trichomonas vaginalis	plasma membrane calcium-transporting ATPase, putative	0.001	0.0087	0.0659
Toxoplasma gondii	lactate dehydrogenase LDH2	0.0098	0.3355	1
Trichomonas vaginalis	plasma membrane calcium-transporting ATPase, putative	0.001	0.0087	0.0659
Plasmodium falciparum	glutathione reductase	0.0046	0.1401	0.4021
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0016	0.0295	0.033
Echinococcus granulosus	calcium transporting ATPase type 2C member	0.001	0.0087	0.0093
Plasmodium vivax	lactate dehydrogenase	0.0098	0.3355	1
Trichomonas vaginalis	malate and lactate dehydrogenase, putative	0.0038	0.1126	0.8535
Chlamydia trachomatis	malate dehydrogenase	0.0038	0.1126	1
Loa Loa (eye worm)	glutathione reductase	0.0046	0.1401	0.2084
Trichomonas vaginalis	malate dehydrogenase, putative	0.0038	0.1126	0.8535
Echinococcus granulosus	cation transporting ATPase 13A3	0.001	0.0087	0.0093
Echinococcus granulosus	L lactate dehydrogenase	0.006	0.1938	0.3001
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.1755	0.2714
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0074	0.2434	0.4717
Echinococcus multilocularis	copper transporting ATPase 1	0.001	0.0087	0.0093
Echinococcus multilocularis	L lactate dehydrogenase B chain	0.0098	0.3355	0.5228
Trichomonas vaginalis	malate and lactate dehydrogenase, putative	0.0038	0.1126	0.8535
Loa Loa (eye worm)	malate dehydrogenase	0.0038	0.1126	0.1648
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0016	0.0295	0.0637
Echinococcus multilocularis	cation transporting atpase worm	0.001	0.0087	0.0093
Mycobacterium tuberculosis	Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot	0.0016	0.0295	0.021
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0019	0.0415	0.052
Leishmania major	trypanothione reductase	0.0046	0.1401	0.4021
Echinococcus granulosus	plasma membrane calcium transporting ATPase 2	0.001	0.0087	0.0093
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0016	0.0295	0.1585
Schistosoma mansoni	malate dehydrogenase	0.0038	0.1126	0.2153
Trichomonas vaginalis	malate dehydrogenase, putative	0.0038	0.1126	0.8535
Loa Loa (eye worm)	beta-lactamase	0.0043	0.132	0.1955
Giardia lamblia	Malate dehydrogenase	0.0038	0.1126	1
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0116	0.4	0.3947
Entamoeba histolytica	malate dehydrogenase, putative	0.0038	0.1126	0.318
Leishmania major	acetoin dehydrogenase e3 component-like protein	0.0016	0.0295	0.0637
Brugia malayi	Muscleblind-like protein	0.018	0.6392	1
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0016	0.0295	0.0637
Echinococcus multilocularis	muscleblind protein 1	0.018	0.6392	1
Echinococcus multilocularis	cation transporting ATPase 13A3	0.001	0.0087	0.0093
Loa Loa (eye worm)	hypothetical protein	0.0098	0.3355	0.5184
Mycobacterium tuberculosis	Probable malate dehydrogenase Mdh	0.0038	0.1126	0.1048
Trichomonas vaginalis	cation-transporting ATPase, putative	0.001	0.0087	0.0659
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.1755	0.2714
Loa Loa (eye worm)	hypothetical protein	0.0043	0.132	0.1955
Echinococcus multilocularis	Tetracycline resistance leader peptide, TetL	0.001	0.0087	0.0093
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0104	0.3569	0.3513
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0043	0.132	0.1243
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein	0.0012	0.014	0.0084
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.1755	0.3386
Trichomonas vaginalis	malate dehydrogenase, putative	0.0019	0.0399	0.3027
Trichomonas vaginalis	malate dehydrogenase, putative	0.0038	0.1126	0.8535
Trypanosoma brucei	cytosolic malate dehydrogenase	0.0038	0.1126	0.7908
Toxoplasma gondii	malate dehydrogenase MDH	0.0098	0.3355	1
Plasmodium vivax	glutathione reductase, putative	0.0046	0.1401	0.4021
Schistosoma mansoni	cation-transporting atpase 13a1 (G-box binding protein)	0.001	0.0087	0.0116
Mycobacterium ulcerans	lipase LipD	0.0043	0.132	1
Wolbachia endosymbiont of Brugia malayi	malate dehydrogenase	0.0098	0.3355	1
Mycobacterium ulcerans	esterase/lipase LipP	0.0043	0.132	1
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0019	0.0415	0.0607
Loa Loa (eye worm)	malate dehydrogenase	0.0038	0.1126	0.1648
Trypanosoma cruzi	malate dehydrogenase, putative	0.0038	0.1126	0.7908
Echinococcus multilocularis	phospholipid transporting ATPase VA	0.001	0.0087	0.0093
Plasmodium falciparum	L-lactate dehydrogenase	0.0098	0.3355	1
Mycobacterium ulcerans	hypothetical protein	0.0043	0.132	1
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase	0.0016	0.0295	0.169
Schistosoma mansoni	hypothetical protein	0.0019	0.0415	0.0758
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0016	0.0295	0.1585
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.132	1
Schistosoma mansoni	copper ABC transporter ATPase	0.001	0.0087	0.0116
Echinococcus granulosus	cation transporting ATPase 13A1	0.001	0.0087	0.0093
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.1939	0.2938
Schistosoma mansoni	malate dehydrogenase	0.0098	0.3355	0.6523
Schistosoma mansoni	Na+/K+ transporting ATPase subunit alpha	0.001	0.0087	0.0116
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0016	0.0295	0.1585
Schistosoma mansoni	phosphoserine phosphatase	0.001	0.0087	0.0116
Echinococcus granulosus	lactate dehydrogenase a	0.0098	0.3355	0.5228
Trichomonas vaginalis	malate dehydrogenase, putative	0.0019	0.0399	0.3027
Echinococcus granulosus	muscleblind protein	0.018	0.6392	1
Echinococcus multilocularis	phosphoserine phosphatase	0.001	0.0087	0.0093
Schistosoma mansoni	ATPase	0.001	0.0087	0.0116
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.1755	0.3386
Echinococcus multilocularis	cytosolic malate dehydrogenase	0.0038	0.1126	0.1726
Trichomonas vaginalis	penicillin-binding protein, putative	0.0043	0.132	1
Mycobacterium leprae	Probable lipase LipE	0.0043	0.132	0.315
Mycobacterium tuberculosis	Probable lipase LipD	0.0043	0.132	0.1243
Schistosoma mansoni	hypothetical protein	0.0041	0.1234	0.2363
Plasmodium falciparum	dihydrolipoyl dehydrogenase, mitochondrial	0.0016	0.0295	0.0637
Brugia malayi	Thioredoxin reductase	0.0046	0.1401	0.2084
Plasmodium vivax	malate dehydrogenase, putative	0.0098	0.3355	1
Loa Loa (eye worm)	hypothetical protein	0.0106	0.3651	0.5653
Plasmodium falciparum	malate dehydrogenase	0.0098	0.3355	1
Echinococcus granulosus	GPCR family 2	0.0019	0.0415	0.0607
Leishmania major	hypothetical protein, conserved	0.0043	0.132	0.3772
Loa Loa (eye worm)	thioredoxin reductase	0.0046	0.1401	0.2084
Trichomonas vaginalis	phospholipid-transporting ATPase, putative	0.001	0.0087	0.0659
Echinococcus multilocularis	phosphoserine phosphatase	0.001	0.0087	0.0093
Toxoplasma gondii	thioredoxin reductase	0.0046	0.1401	0.4021
Schistosoma mansoni	ATPase	0.001	0.0087	0.0116
Trypanosoma brucei	trypanothione reductase	0.0046	0.1401	1
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0019	0.0415	0.052
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0035	0.0994	0.1438
Loa Loa (eye worm)	hypothetical protein	0.006	0.1939	0.2938
Loa Loa (eye worm)	hypothetical protein	0.018	0.6392	1
Mycobacterium tuberculosis	Probable oxidoreductase	0.0116	0.4	0.3947
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0016	0.0295	0.1585
Mycobacterium tuberculosis	Probable lipase LipE	0.0043	0.132	0.1243
Trichomonas vaginalis	ATPase, class VI, type 11C, putative	0.001	0.0087	0.0659
Schistosoma mansoni	malate dehydrogenase	0.0038	0.1126	0.2153
Trichomonas vaginalis	cation-transporting ATPase, putative	0.001	0.0087	0.0659
Brugia malayi	Probable malate dehydrogenase, mitochondrial precursor	0.0038	0.1126	0.1648
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0016	0.0295	0.042
Brugia malayi	hypothetical protein	0.0106	0.3651	0.5653
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0016	0.0295	0.1585
Trichomonas vaginalis	penicillin-binding protein, putative	0.0043	0.132	1
Mycobacterium tuberculosis	Probable esterase LipL	0.0043	0.132	0.1243
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0104	0.3569	0.8899
Echinococcus granulosus	copper transporting ATPase 1	0.001	0.0087	0.0093
Brugia malayi	CXXC zinc finger family protein	0.0035	0.0994	0.1438
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.1755	0.2646
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.1755	0.2714
Mycobacterium tuberculosis	Probable dehydrogenase	0.0104	0.3569	0.3513
Mycobacterium ulcerans	malate dehydrogenase	0.0038	0.1126	0.8432
Onchocerca volvulus		0.0043	0.132	1
Trichomonas vaginalis	plasma membrane calcium-transporting ATPase, putative	0.001	0.0087	0.0659
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0066	0.2143	0.6291
Trichomonas vaginalis	malate and lactate dehydrogenase, putative	0.0038	0.1126	0.8535
Mycobacterium leprae	conserved hypothetical protein	0.0043	0.132	0.315
Trypanosoma brucei	hypothetical protein, conserved	0.0043	0.132	0.9379
Trypanosoma cruzi	glycosomal malate dehydrogenase, putative	0.0038	0.1126	0.7908
Schistosoma mansoni	cation-transporting ATPase	0.001	0.0087	0.0116
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.1755	0.2714
Echinococcus multilocularis	malate dehydrogenase	0.0038	0.1126	0.1726
Trypanosoma cruzi	cytosolic malate dehydrogenase, putative	0.0038	0.1126	0.7908
Trichomonas vaginalis	glutathione reductase, putative	0.0016	0.0295	0.2238
Plasmodium vivax	dihydrolipoyl dehydrogenase, mitochondrial, putative	0.0016	0.0295	0.0637
Mycobacterium tuberculosis	Conserved protein	0.0043	0.132	0.1243
Brugia malayi	Malate dehydrogenase, cytoplasmic	0.0038	0.1126	0.1648
Toxoplasma gondii	pyruvate dehydrogenase complex subunit PDH-E3II	0.0016	0.0295	0.0637
Echinococcus granulosus	thioredoxin glutathione reductase	0.0046	0.1424	0.2193
Echinococcus granulosus	L lactate dehydrogenase B chain	0.0098	0.3355	0.5228
Plasmodium falciparum	thioredoxin reductase	0.0046	0.1401	0.4021
Trichomonas vaginalis	malate dehydrogenase, putative	0.0038	0.1126	0.8535
Schistosoma mansoni	malate dehydrogenase	0.0038	0.1126	0.2153
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0104	0.3569	0.3513
Brugia malayi	glutathione reductase	0.0046	0.1401	0.2084
Brugia malayi	alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase	0.0012	0.014	0.0084
Schistosoma mansoni	cpg binding protein	0.0037	0.1067	0.2037
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0016	0.0295	0.1585
Giardia lamblia	NADH oxidase lateral transfer candidate	0.0016	0.0295	0.2004
Plasmodium vivax	dihydrolipoyl dehydrogenase, apicoplast, putative	0.0016	0.0295	0.0637
Plasmodium falciparum	dihydrolipoyl dehydrogenase, apicoplast	0.0016	0.0295	0.0637
Mycobacterium ulcerans	beta-lactamase	0.0043	0.132	1
Mycobacterium leprae	PROBABLE MALATE DEHYDROGENASE MDH	0.0038	0.1126	0.2656
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0043	0.132	1
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0116	0.4	1
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0104	0.3569	0.3513
Trichomonas vaginalis	esterase, putative	0.0043	0.132	1
Schistosoma mansoni	hypothetical protein	0.0019	0.0415	0.0758
Leishmania major	glycosomal malate dehydrogenase	0.0038	0.1126	0.318
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.132	0.9379
Leishmania major	mitochondrial malate dehydrogenase	0.0038	0.1126	0.318
Plasmodium vivax	hypothetical protein, conserved	0.0043	0.132	0.3772
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0016	0.0295	0.1585
Echinococcus multilocularis	phospholipid transporting ATPase IIB	0.001	0.0087	0.0093
Echinococcus multilocularis	lactate dehydrogenase protein	0.0098	0.3355	0.5228
Plasmodium falciparum	thioredoxin reductase	0.0016	0.0295	0.0637
Schistosoma mansoni	atpase class VI type 11c	0.001	0.0087	0.0116
Plasmodium vivax	lactate/malate dehydrogenase, putative	0.0038	0.1126	0.318
Schistosoma mansoni	L-lactate dehydrogenase	0.0038	0.1126	0.2153
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0043	0.132	0.1955
Echinococcus granulosus	cpg binding protein	0.0037	0.1067	0.1633
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0104	0.3569	0.3513
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0043	0.132	0.1243
Entamoeba histolytica	malate dehydrogenase, putative	0.0098	0.3355	1
Trichomonas vaginalis	malate dehydrogenase, putative	0.0038	0.1126	0.8535
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0046	0.1424	0.2193
Schistosoma mansoni	cpg binding protein	0.0037	0.1067	0.2037
Schistosoma mansoni	cpg binding protein	0.0035	0.0994	0.1893
Onchocerca volvulus		0.0043	0.132	1
Trichomonas vaginalis	malate and lactate dehydrogenase, putative	0.0038	0.1126	0.8535
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.1939	0.2938
Trypanosoma brucei	dihydrolipoyl dehydrogenase	0.0016	0.0295	0.1585
Trypanosoma brucei	glycosomal malate dehydrogenase	0.0038	0.1126	0.7908
Loa Loa (eye worm)	hypothetical protein	0.018	0.6392	1
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0016	0.0295	0.1585
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.1939	0.2938
Mycobacterium tuberculosis	Probable hydrolase	0.0043	0.132	0.1243
Entamoeba histolytica	malate dehydrogenase,cytoplasmic, putative	0.0038	0.1126	0.318
Trichomonas vaginalis	plasma membrane calcium-transporting ATPase, putative	0.001	0.0087	0.0659
Schistosoma mansoni	L-lactate dehydrogenase	0.0098	0.3355	0.6523
Loa Loa (eye worm)	hypothetical protein	0.0043	0.132	0.1955
Trichomonas vaginalis	cation-transporting ATPase, putative	0.001	0.0087	0.0659
Loa Loa (eye worm)	histone methyltransferase	0.0011	0.0106	0.0031
Schistosoma mansoni	hypothetical protein	0.0019	0.0415	0.0758
Treponema pallidum	NADH oxidase	0.0016	0.0295	1
Trichomonas vaginalis	malate dehydrogenase, putative	0.0038	0.1126	0.8535
Trichomonas vaginalis	malate dehydrogenase, putative	0.0038	0.1126	0.8535
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0011	0.0106	0.0123
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase, LpdB	0.0016	0.0295	0.169
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0016	0.0295	0.1585
Trichomonas vaginalis	malate dehydrogenase, putative	0.0038	0.1126	0.8535
Schistosoma mansoni	hypothetical protein	0.0019	0.0415	0.0758
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0043	0.132	0.203
Trichomonas vaginalis	plasma membrane calcium-transporting ATPase, putative	0.001	0.0087	0.0659
Trichomonas vaginalis	cation-transporting ATPase fungi, putative	0.001	0.0087	0.0659
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0019	0.0415	0.0607
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0016	0.0295	0.042
Echinococcus granulosus	sarco:endoplasmic reticulum calcium ATPase	0.001	0.0087	0.0093
Echinococcus granulosus	phospholipid transporting ATPase VA	0.001	0.0087	0.0093
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0116	0.4	0.3947
Echinococcus granulosus	lactate dehydrogenase a	0.0098	0.3355	0.5228
Trypanosoma brucei	dihydrolipoamide dehydrogenase, point mutation	0.0016	0.0295	0.1585
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.132	0.2532
Echinococcus multilocularis	lactate dehydrogenase a	0.0098	0.3355	0.5228
Echinococcus multilocularis	calcium transporting ATPase type 2C member	0.001	0.0087	0.0093
Trichomonas vaginalis	malate dehydrogenase, putative	0.0038	0.1126	0.8535

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (functional)	> 120 um	PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Activators of 5'UTR Stem-Loop Driven Prion Protein mRNA Translation in H4 Neuroglioblastoma Cells. (Class of assay: confirmatory) [Related pubchem assays: 1829 (Project Summary), 1814 (Primary HTS)]	ChEMBL.	No reference
Potency (functional)	= 0.7079 um	PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))]	ChEMBL.	No reference
Potency (functional)	0.8913 uM	PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	11.2202 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	11.6891 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	11.6891 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	= 12.5893 um	PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)]	ChEMBL.	No reference
Potency (functional)	= 15.8489 um	PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)]	ChEMBL.	No reference
Potency (functional)	19.0148 uM	PubChem BioAssay. qHTS for Inhibitors of the Phosphatase Activity of Eya2: Confirmatory Assay for Cherry-picked Compounds. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (binding)	19.9526 uM	PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	22.3872 uM	PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	44.6684 uM	PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Human Flap endonuclease 1 (FEN1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488813]	ChEMBL.	No reference
Potency (functional)	63.0957 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

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

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

External resources for this compound

ChEMBL: CHEMBL1594893

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1447506