TDR Targets

Basic information

Technical information

TDR Targets ID: 1418081
Name: 1-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol -3-yl]sulfanyl]-3,3-dimethylbutan-2-one
MW: 333.448 | Formula: C17H23N3O2S
H donors: 0 H acceptors: 3 LogP: 3.36 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccccc1c1nnc(n1CC)SCC(=O)C(C)(C)C
InChi: 1S/C17H23N3O2S/c1-6-20-15(12-9-7-8-10-13(12)22-5)18-19-16(20)23-11-14(21)17(2,3)4/h7-10H,6,11H2,1-5H3
InChiKey: NKYVVCIOPAEYMT-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

1-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethyl-butan-2-one
1-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-3,3-dimethylbutan-2-one
1-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-3,3-dimethyl-butan-2-one
ZINC04295899
SMR000046408
MLS000083154

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Schistosoma mansoni	Thioredoxin glutathione reductase	Starlite/ChEMBL	No references
Homo sapiens	glycoprotein hormones, alpha polypeptide	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Leishmania braziliensis	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	thioredoxin 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
Theileria parva	thioredoxin reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Leishmania major	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
Cryptosporidium hominis	thioredoxin reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Schistosoma japonicum	ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], 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)	glutathione 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
Toxoplasma gondii	thioredoxin reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Cryptosporidium parvum	thioredoxin reductase 1	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 brucei gambiense	trypanothione reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Trypanosoma cruzi	trypanothione reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Babesia bovis	thiodoxin reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Plasmodium berghei	thioredoxin reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Neospora caninum	Glutathione reductase, related	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
Plasmodium berghei	glutathione reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Trypanosoma brucei	trypanothione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Echinococcus granulosus	thioredoxin glutathione 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
Brugia malayi	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
Plasmodium yoelii	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
Leishmania mexicana	trypanothione 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 knowlesi	glutathione reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Neospora caninum	MGC84926 protein, related	Get druggable targets OG5_126785	All targets in OG5_126785
Brugia malayi	glutathione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Leishmania infantum	trypanothione 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

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Neospora caninum	hypothetical protein	Thioredoxin glutathione reductase	598 aa	485 aa	30.5 %
Plasmodium vivax	dihydrolipoyl dehydrogenase, apicoplast, putative	Thioredoxin glutathione reductase	598 aa	521 aa	21.5 %
Neospora caninum	Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related	Thioredoxin glutathione reductase	598 aa	512 aa	28.3 %
Onchocerca volvulus		Thioredoxin glutathione reductase	598 aa	533 aa	50.8 %
Plasmodium yoelii	dihydrolipoamide dehydrogenase	Thioredoxin glutathione reductase	598 aa	537 aa	24.2 %
Toxoplasma gondii	intraflagellar transport protein 172, putative	glycoprotein hormones, alpha polypeptide	116 aa	94 aa	26.6 %
Toxoplasma gondii	NADPH-glutathione reductase	Thioredoxin glutathione reductase	598 aa	555 aa	33.5 %
Plasmodium knowlesi	dihydrolipoyl dehydrogenase, apicoplast, putative	Thioredoxin glutathione reductase	598 aa	518 aa	22.0 %
Plasmodium berghei	dihydrolipoyl dehydrogenase, apicoplast, putative	Thioredoxin glutathione reductase	598 aa	538 aa	25.3 %
Plasmodium falciparum	dihydrolipoyl dehydrogenase, apicoplast	Thioredoxin glutathione reductase	598 aa	513 aa	25.0 %
Neospora caninum	glutathione reductase, putative	Thioredoxin glutathione reductase	598 aa	532 aa	34.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0403	1	1
Plasmodium vivax	glutathione reductase, putative	0.0046	0.0736	0.0502
Plasmodium falciparum	glutathione reductase	0.0046	0.0736	0.0502
Echinococcus granulosus	multidrug resistance associated protein 7	0.0129	0.2892	0.2314
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0129	0.2892	0.2712
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0129	0.2892	0.2184
Brugia malayi	ABC transporter family protein	0.0129	0.2892	0.2892
Loa Loa (eye worm)	ABC transporter transmembrane region family protein	0.0129	0.2892	0.2712
Mycobacterium tuberculosis	Probable drugs-transport transmembrane ATP-binding protein ABC transporter	0.0129	0.2892	0.2327
Mycobacterium ulcerans	transmembrane ABC transporter ATP-binding protein	0.0129	0.2892	0.2592
Toxoplasma gondii	ATP-binding cassette G family transporter ABCG89	0.0061	0.1122	0.0897
Schistosoma mansoni	multidrug resistance protein	0.012	0.2675	0.2296
Mycobacterium leprae	PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER	0.0129	0.2892	1
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.1299	0.0849
Toxoplasma gondii	ATP-binding cassette G family transporter ABCG107	0.0061	0.1122	0.0897
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0403	1	1
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0129	0.2892	0.2712
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0905	0.0675
Echinococcus multilocularis	ATP binding cassette sub family G	0.0348	0.8571	0.8454
Trichomonas vaginalis	abcb9, putative	0.0403	1	1
Loa Loa (eye worm)	hypothetical protein	0.0394	0.9783	0.9778
Echinococcus granulosus	tar DNA binding protein	0.0067	0.1299	0.0591
Brugia malayi	multidrug resistance related protein 1	0.0129	0.2892	0.2892
Echinococcus multilocularis	multidrug resistance protein 1	0.0282	0.6876	0.6622
Toxoplasma gondii	thioredoxin reductase	0.0046	0.0736	0.0502
Entamoeba histolytica	P-glycoprotein-2	0.0403	1	1
Entamoeba histolytica	P-glycoprotein 5, putative	0.012	0.2675	0.1946
Entamoeba histolytica	ABC transporter, putative	0.0348	0.8571	0.8428
Mycobacterium tuberculosis	Probable O-antigen/lipopolysaccharide transport integral membrane protein ABC transporter RfbD	0.0052	0.0905	0.0182
Entamoeba histolytica	multidrug resistance protein, putative	0.0129	0.2892	0.2184
Leishmania major	ABC-thiol transporter	0.0129	0.2892	0.2712
Schistosoma mansoni	multidrug resistance protein	0.0403	1	1
Trichomonas vaginalis	taga, putative	0.0403	1	1
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0116	0.2556	0.1965
Loa Loa (eye worm)	multidrug resistance protein 3	0.0403	1	1
Brugia malayi	ABC transporter transmembrane region family protein	0.0129	0.2892	0.2892
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0282	0.6876	0.5736
Trypanosoma cruzi	ABC transporter, mitochondrial, putative	0.0129	0.2892	0.3178
Brugia malayi	ABC transporter transmembrane region family protein	0.0129	0.2892	0.2892
Schistosoma mansoni	multidrug resistance protein	0.0129	0.2892	0.2524
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0116	0.2556	0.8311
Leishmania major	ATP-binding cassette protein subfamily B, member 2, putative	0.0403	1	1
Brugia malayi	ABC transporter	0.0129	0.2892	0.2892
Trichomonas vaginalis	ABC transporter, half transporter, putative	0.0403	1	1
Trypanosoma brucei	ABC transporter, mitochondrial, putative	0.0129	0.2892	0.3178
Chlamydia trachomatis	ABC transporter ATP binding protein/permease	0.0403	1	0.5
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0104	0.2254	0.1639
Trypanosoma brucei	multidrug resistance-associated protein, putative	0.0129	0.2892	0.3178
Trypanosoma cruzi	ATP-binding cassette protein subfamily G	0.0061	0.1122	0.1051
Trichomonas vaginalis	ABC transporter, putative	0.0403	1	1
Leishmania major	p-glycoprotein e	0.0129	0.2892	0.2712
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0053	0.0927	0.0697
Schistosoma mansoni	multidrug resistance protein	0.0403	1	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0053	0.0927	0.0927
Leishmania major	ATP-binding cassette protein subfamily G, member 1, putative	0.0061	0.1122	0.0897
Brugia malayi	ABC transporter family protein	0.0403	1	1
Echinococcus granulosus	multidrug resistance protein 1	0.0282	0.6876	0.6622
Giardia lamblia	MRP-like ABC transporter	0.0129	0.2892	0.0382
Leishmania major	ATP-binding cassette protein subfamily C, member 5, putative	0.0129	0.2892	0.2712
Leishmania major	trypanothione reductase	0.0046	0.0736	0.0502
Plasmodium vivax	ABC transporter B family member 4, putative	0.0129	0.2892	0.2712
Leishmania major	ATP-binding cassette protein subfamily B, member 1, putative	0.0129	0.2892	0.2712
Loa Loa (eye worm)	hypothetical protein	0.012	0.2675	0.249
Echinococcus multilocularis	ATP binding cassette sub family B	0.0129	0.2892	0.2314
Loa Loa (eye worm)	ABC transporter	0.0129	0.2892	0.2712
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.1299	0.0849
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.1299	0.0849
Brugia malayi	ABC transporter family protein	0.0295	0.7217	0.7217
Leishmania major	ATP-binding cassette protein subfamily G, member 2, putative	0.0061	0.1122	0.0897
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0905	0.0675
Loa Loa (eye worm)	hypothetical protein	0.0129	0.2892	0.2712
Schistosoma mansoni	ATP-binding cassette sub-family B member 7 mitochondrial precursor (abc7)	0.0129	0.2892	0.2524
Echinococcus granulosus	multidrug resistance protein 1	0.0282	0.6876	0.6622
Plasmodium vivax	multidrug resistance-associated protein 1, putative	0.0129	0.2892	0.2712
Entamoeba histolytica	ABC transporter, putative	0.0129	0.2892	0.2184
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0403	1	1
Loa Loa (eye worm)	TAR-binding protein	0.0067	0.1299	0.1079
Onchocerca volvulus		0.0403	1	0.5
Echinococcus granulosus	multidrug resistance protein 1	0.0403	1	1
Trypanosoma brucei	multidrug resistance-associated protein, putative	0.0129	0.2892	0.3178
Schistosoma mansoni	ATP-binding cassette sub-family g2 (white protein) (abcg2)	0.0348	0.8571	0.8497
Loa Loa (eye worm)	hypothetical protein	0.0403	1	1
Toxoplasma gondii	ATP-binding cassette transporter ABC.B1	0.0403	1	1
Loa Loa (eye worm)	glutathione reductase	0.0046	0.0736	0.0502
Echinococcus multilocularis	ATP binding cassette sub family B	0.0129	0.2892	0.2314
Mycobacterium tuberculosis	Probable daunorubicin-dim-transport integral membrane protein ABC transporter DrrC	0.0052	0.0905	0.0182
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0403	1	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0053	0.0927	0.0927
Trypanosoma brucei	ATP-binding cassette protein subfamily G	0.0061	0.1122	0.1051
Schistosoma mansoni	smdr2	0.0403	1	1
Entamoeba histolytica	P-glycoprotein-2, putative	0.012	0.2675	0.1946
Loa Loa (eye worm)	RNA binding protein	0.0067	0.1299	0.1079
Trichomonas vaginalis	abcb9, putative	0.0403	1	1
Plasmodium falciparum	ABC transporter G family member 2	0.0348	0.8571	0.8534
Trypanosoma cruzi	multidrug resistance-associated protein, putative	0.0129	0.2892	0.3178
Toxoplasma gondii	ABC transporter, putative	0.0129	0.2892	0.2712
Mycobacterium ulcerans	transmembrane ABC transporter ATP-binding protein	0.0348	0.8571	1
Trypanosoma brucei	ATP-binding cassette protein, putative	0.0348	0.8571	1
Giardia lamblia	Multidrug resistance-associated protein 1	0.0129	0.2892	0.0382
Mycobacterium tuberculosis	Probable conserved transmembrane ATP-binding protein ABC transporter	0.0287	0.7	0.6761
Trypanosoma cruzi	ABC transporter, putative	0.0348	0.8571	1
Loa Loa (eye worm)	ABC transporter	0.0129	0.2892	0.2712
Trypanosoma brucei	ABC transporter, putative	0.0061	0.1122	0.1051
Trypanosoma brucei	ABC transporter of the mitochondrion, putative	0.0129	0.2892	0.3178
Brugia malayi	ABC transporter	0.012	0.2675	0.2675
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0403	1	1
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0129	0.2892	0.2184
Loa Loa (eye worm)	ATP-binding cassette sub-family B member 2	0.0403	1	1
Plasmodium falciparum	ABC transporter B family member 6, putative	0.0129	0.2892	0.2712
Plasmodium vivax	ABC transporter B family member 7, putative	0.0129	0.2892	0.2712
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0403	1	1
Loa Loa (eye worm)	hypothetical protein	0.0129	0.2892	0.2712
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0403	1	1
Trypanosoma cruzi	trypanothione reductase, putative	0.0046	0.0736	0.0588
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0403	1	1
Brugia malayi	hypothetical protein	0.0027	0.0247	0.0247
Echinococcus multilocularis	ATP binding cassette sub family B	0.0129	0.2892	0.2314
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0129	0.2892	0.0296
Entamoeba histolytica	P-glyco protein 6, putative	0.0403	1	1
Brugia malayi	ABC transporter family protein	0.0129	0.2892	0.2892
Trypanosoma cruzi	multidrug resistance-associated protein, putative	0.0129	0.2892	0.3178
Plasmodium falciparum	ABC transporter B family member 4, putative	0.0129	0.2892	0.2712
Echinococcus multilocularis	ATP binding cassette sub family G	0.0348	0.8571	0.8454
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0403	1	1
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0905	0.0675
Brugia malayi	TAR-binding protein	0.0067	0.1299	0.1299
Plasmodium vivax	multidrug resistance-associated protein 2, putative	0.0129	0.2892	0.2712
Schistosoma mansoni	ABC transporter	0.0052	0.0905	0.0435
Trypanosoma brucei	multidrug resistance protein E	0.0129	0.2892	0.3178
Trypanosoma cruzi	multidrug resistance protein E, putative	0.0129	0.2892	0.3178
Trypanosoma brucei	p-glycoprotein	0.0129	0.2892	0.3178
Trypanosoma cruzi	ABC transporter, putative	0.0052	0.0905	0.0791
Trypanosoma cruzi	hypothetical protein, conserved	0.0061	0.1122	0.1051
Entamoeba histolytica	hypothetical protein	0.0129	0.2892	0.2184
Entamoeba histolytica	P-glycoprotein 6, putative	0.0129	0.2892	0.2184
Plasmodium falciparum	multidrug resistance-associated protein 1	0.0129	0.2892	0.2712
Plasmodium vivax	multidrug resistance protein 2, putative	0.0129	0.2892	0.2712
Schistosoma mansoni	ATP-binding cassette sub-family B member 6 mitochondrial precursor (abc6)	0.012	0.2675	0.2296
Mycobacterium tuberculosis	Probable transmembrane multidrug efflux pump	0.0403	1	1
Schistosoma mansoni	multidrug resistance protein	0.0403	1	1
Schistosoma mansoni	hypothetical protein	0.0287	0.7	0.6845
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0403	1	1
Brugia malayi	hypothetical protein	0.0052	0.0905	0.0905
Brugia malayi	hypothetical protein	0.0129	0.2892	0.2892
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0104	0.2254	0.1639
Echinococcus granulosus	ATP binding cassette sub family G	0.0348	0.8571	0.8454
Schistosoma mansoni	multidrug resistance protein	0.0129	0.2892	0.2524
Plasmodium vivax	thioredoxin reductase, putative	0.0046	0.0736	0.0502
Brugia malayi	RNA binding protein	0.0067	0.1299	0.1299
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0403	1	1
Trichomonas vaginalis	ABC transporter, putative	0.0403	1	1
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0129	0.2892	0.2712
Schistosoma mansoni	multidrug resistance protein	0.0129	0.2892	0.2524
Leishmania major	ATP-binding cassette protein subfamily C, member 2, putative	0.0129	0.2892	0.2712
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0403	1	1
Loa Loa (eye worm)	hypothetical protein	0.0403	1	1
Mycobacterium tuberculosis	Iron-regulated transporter IrtA	0.0129	0.2892	0.2327
Entamoeba histolytica	P-glycoprotein-2	0.0403	1	1
Plasmodium falciparum	multidrug resistance-associated protein 2	0.0129	0.2892	0.2712
Entamoeba histolytica	P-glycoprotein-5	0.0403	1	1
Mycobacterium ulcerans	component linked with the assembly of cytochrome transport transmembrane ATP-binding protein ABC transporter CydD	0.0129	0.2892	0.2592
Plasmodium falciparum	ABC transporter B family member 5, putative	0.0129	0.2892	0.2712
Echinococcus multilocularis	ATP binding cassette sub family B	0.0394	0.9783	0.9765
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0104	0.2254	0.6793
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0927	0.0697
Toxoplasma gondii	ABC transporter family protein	0.0129	0.2892	0.2712
Entamoeba histolytica	P-glycoprotein 6, putative	0.0129	0.2892	0.2184
Schistosoma mansoni	smdr1	0.0129	0.2892	0.2524
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0403	1	1
Trypanosoma brucei	ABC transporter, putative	0.0348	0.8571	1
Toxoplasma gondii	ATP-binding cassette G family transporter ABCG96	0.0061	0.1122	0.0897
Echinococcus granulosus	multidrug resistance protein 1	0.0403	1	1
Entamoeba histolytica	P-glycoprotein-1	0.0403	1	1
Plasmodium vivax	ABC transporter B family member 5, putative	0.0129	0.2892	0.2712
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0491	0.0251
Mycobacterium ulcerans	transmembrane ABC transporter ATP-binding protein	0.0129	0.2892	0.2592
Brugia malayi	RE11181p	0.0052	0.0905	0.0905
Leishmania major	ATP-binding cassette protein subfamily G, member 5, putative	0.0061	0.1122	0.0897
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0403	1	1
Echinococcus granulosus	ATP binding cassette sub family G	0.0348	0.8571	0.8454
Toxoplasma gondii	ATP-binding cassette G family transporter ABCG84	0.0348	0.8571	0.8534
Trichomonas vaginalis	abcb9, putative	0.0403	1	1
Mycobacterium ulcerans	transmembrane ABC transporter ATP-binding protein	0.0348	0.8571	1
Trypanosoma cruzi	ATP-binding cassette protein, putative	0.0348	0.8571	1
Echinococcus granulosus	ATP binding cassette sub family B	0.0129	0.2892	0.2314
Loa Loa (eye worm)	thioredoxin reductase	0.0046	0.0736	0.0502
Leishmania major	ATP-binding cassette protein subfamily B, member 3, putative	0.0129	0.2892	0.2712
Brugia malayi	P-glycoprotein-like protein	0.0129	0.2892	0.2892
Trypanosoma cruzi	hypothetical protein, conserved	0.0052	0.0905	0.0791
Echinococcus multilocularis		0.0129	0.2892	0.2314
Leishmania major	ATP-binding cassette protein subfamily C, member 1, putative	0.0129	0.2892	0.2712
Trypanosoma cruzi	ATP-binding cassette protein subfamily G	0.0061	0.1122	0.1051
Leishmania major	ATP-binding cassette protein subfamily G, member 4, putative	0.0348	0.8571	0.8534
Echinococcus granulosus	ATP binding cassette sub family B	0.0129	0.2892	0.2314
Trichomonas vaginalis	ABC transporter, putative	0.0403	1	1
Loa Loa (eye worm)	hypothetical protein	0.0129	0.2892	0.2712
Schistosoma mansoni	multidrug resistance protein	0.0129	0.2892	0.2524
Giardia lamblia	Multidrug resistance-associated protein 1	0.0129	0.2892	0.0382
Trypanosoma cruzi	hypothetical protein, conserved	0.0061	0.1122	0.1051
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0403	1	1
Echinococcus multilocularis	multidrug resistance protein 1	0.0403	1	1
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.1299	0.0849
Entamoeba histolytica	P-glycoprotein-2, putative	0.0403	1	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0403	1	1
Plasmodium vivax	multidrug resistance protein 1, putative	0.0403	1	1
Brugia malayi	ABC transporter family protein	0.0129	0.2892	0.2892
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0129	0.2892	0.2712
Brugia malayi	glutathione reductase	0.0046	0.0736	0.0736
Toxoplasma gondii	ATP-binding cassette G family transporter ABCG87	0.0061	0.1122	0.0897
Loa Loa (eye worm)	hypothetical protein	0.012	0.2675	0.249
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0403	1	1
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0403	1	1
Plasmodium vivax	ABC transporter G family member 2, putative	0.0348	0.8571	0.8534
Echinococcus granulosus	multidrug resistance protein 1	0.0403	1	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0067	0.1299	0.1079
Trichomonas vaginalis	ABC transporter, putative	0.0403	1	1
Brugia malayi	multidrug Resistance Protein family member (mrp-5), putative	0.0129	0.2892	0.2892
Leishmania major	ATP-binding cassette protein subfamily G, member 6, putative	0.0348	0.8571	0.8534
Plasmodium vivax	ABC transporter B family member 3, putative	0.0129	0.2892	0.2712
Leishmania major	ATP-binding cassette protein subfamily C, member 8, putative	0.0129	0.2892	0.2712
Echinococcus granulosus	ATP binding cassette sub family B	0.012	0.2675	0.2079
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0129	0.2892	0.2712
Echinococcus multilocularis	ATP binding cassette sub family B	0.0129	0.2892	0.2314
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0403	1	1
Giardia lamblia	ABC transporter	0.0339	0.8354	1
Mycobacterium ulcerans	transmembrane ABC transporter ATP-binding protein	0.0129	0.2892	0.2592
Echinococcus granulosus	multidrug resistance associated protein 1	0.0129	0.2892	0.2314
Leishmania major	pentamidine resistance protein 1	0.0129	0.2892	0.2712
Brugia malayi	latrophilin 2 splice variant baaae	0.0036	0.0491	0.0491
Schistosoma mansoni	multidrug resistance protein	0.0129	0.2892	0.2524
Mycobacterium tuberculosis	Probable oxidoreductase	0.0116	0.2556	0.1965
Echinococcus multilocularis	multidrug resistance associated protein 1	0.0129	0.2892	0.2314
Loa Loa (eye worm)	transcription factor SMAD2	0.0127	0.2845	0.2664
Plasmodium vivax	ABC transporter B family member 6, putative	0.0129	0.2892	0.2712
Loa Loa (eye worm)	ABC transporter	0.0295	0.7217	0.7146
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0403	1	1
Trypanosoma cruzi	ABC transporter, putative	0.0061	0.1122	0.1051
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0129	0.2892	0.2184
Giardia lamblia	ABC transporter, putative	0.0129	0.2892	0.0382
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.1299	0.0849
Brugia malayi	MH2 domain containing protein	0.0127	0.2845	0.2845
Echinococcus multilocularis	multidrug resistance protein 1	0.0403	1	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0127	0.2845	0.2664
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0129	0.2892	0.2712
Plasmodium falciparum	ABC transporter B family member 7, putative	0.0129	0.2892	0.2712
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0403	1	1
Echinococcus multilocularis	multidrug resistance associated protein 7	0.0129	0.2892	0.2314
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0403	1	1
Schistosoma mansoni	ABC transporter	0.0295	0.7217	0.7073
Echinococcus granulosus	5'partial\|ATP binding cassette sub family B	0.0394	0.9783	0.9765
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0403	1	1
Trypanosoma cruzi	ABC transporter, putative	0.0052	0.0905	0.0791
Trypanosoma cruzi	ABC transporter of the mitochondrion, putative	0.0129	0.2892	0.3178
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0403	1	1
Mycobacterium tuberculosis	Probable reductase	0.0104	0.2254	0.1639
Mycobacterium tuberculosis	Probable dehydrogenase	0.0104	0.2254	0.1639
Leishmania major	ATP-binding cassette protein subfamily C, member 6, putative	0.0129	0.2892	0.2712
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0403	1	1
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0104	0.2254	0.1639
Mycobacterium leprae	PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER	0.0129	0.2892	1
Leishmania major	p-glycoprotein	0.0403	1	1
Plasmodium falciparum	multidrug resistance protein 2	0.0129	0.2892	0.2712
Wolbachia endosymbiont of Brugia malayi	ABC-type protease secretion system, ATPase and permease component, AprD	0.0129	0.2892	0.5
Echinococcus multilocularis	tar DNA binding protein	0.0067	0.1299	0.0591
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0116	0.2556	0.1965
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0104	0.2254	0.1639
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0403	1	1
Echinococcus multilocularis	ATP binding cassette sub family G	0.0348	0.8571	0.8454
Brugia malayi	Thioredoxin reductase	0.0046	0.0736	0.0736
Toxoplasma gondii	ATP-binding cassette sub-family B member 5	0.0129	0.2892	0.2712
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0403	1	1
Entamoeba histolytica	P-glycoprotein 5, putative	0.0403	1	1
Wolbachia endosymbiont of Brugia malayi	ABC-type multidrug transport system, ATPase and permease component	0.0129	0.2892	0.5
Loa Loa (eye worm)	ABC transporter	0.0129	0.2892	0.2712
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0403	1	1
Mycobacterium tuberculosis	Probable conserved integral membrane protein ABC transporter	0.0052	0.0905	0.0182
Plasmodium falciparum	ABC transporter B family member 3, putative	0.0129	0.2892	0.2712
Mycobacterium ulcerans	drugs-transport transmembrane ATP-binding protein ABC transporter	0.0129	0.2892	0.2592
Trichomonas vaginalis	ABC transporter, half transporter, putative	0.0403	1	1
Plasmodium falciparum	multidrug resistance protein 1	0.0403	1	1
Brugia malayi	ABC transporter transmembrane region family protein	0.012	0.2675	0.2675
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0403	1	1
Plasmodium falciparum	thioredoxin reductase	0.0046	0.0736	0.0502
Brugia malayi	RNA recognition motif domain containing protein	0.0067	0.1299	0.1299
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0403	1	1
Mycobacterium ulcerans	transmembrane ABC transporter ATP-binding protein	0.0348	0.8571	1
Trypanosoma brucei	trypanothione reductase	0.0046	0.0736	0.0588
Echinococcus granulosus	ATP binding cassette sub family G	0.0348	0.8571	0.8454
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0129	0.2892	0.2184

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 0.3162 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)	1.0418 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)	2.8184 uM	PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 23.7558 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))]	ChEMBL.	No reference
Potency (functional)	= 31.6228 um	PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 31.6228 um	PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 31.6228 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))]	ChEMBL.	No reference
Potency (functional)	= 35.4813 um	PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory)	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: CHEMBL1572007

Bibliographic References

No literature references available for this target.

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

Detailed information for compound 1418081