TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 532.437 | Formula: C21H16N4O11S
H donors: 4 H acceptors: 10 LogP: -3.75 Rotable bonds: 4
Rule of 5 violations (Lipinski): 2
SMILES: OC(=O)[C@H]1NC[C@H]2[C@@H]1ON=C2C(=O)O.O=C1C=c2cc([N+](=O)[O-])c3c(c2=CC1=O)cccc3S(=O)(=O)N
InChi: 1S/C14H8N2O6S.C7H8N2O5/c15-23(21,22)13-3-1-2-8-9-6-12(18)11(17)5-7(9)4-10(14(8)13)16(19)20;10-6(11)3-2-1-8-4(7(12)13)5(2)14-9-3/h1-6H,(H2,15,21,22);2,4-5,8H,1H2,(H,10,11)(H,12,13)/t;2-,4+,5+/m.1/s1
InChiKey: LIYDMDBEPCBYBM-RQHYYTFISA-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

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	chromobox protein, putative	0.0069	0.0432	0.1307
Brugia malayi	3-hydroxyacyl-CoA dehydrogenase type II	0.0045	0.0166	0.0174
Mycobacterium tuberculosis	Probable oxidoreductase	0.0045	0.0166	0.5
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0095	0.0707	0.0743
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0166	0.0174
Loa Loa (eye worm)	oxidoreductase	0.0045	0.0166	0.0174
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0045	0.0166	0.0174
Schistosoma mansoni	3-keto-dihydrosphingosine reductase	0.0045	0.0166	0.0174
Echinococcus multilocularis	carbonyl reductase 1	0.0045	0.0166	0.0174
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0045	0.0166	0.5
Entamoeba histolytica	hypothetical protein, conserved	0.0045	0.0166	0.5
Mycobacterium leprae	PROBABLE SHORT CHAIN ALCOHOL DEHYDROGENASE/REDUCTASE	0.0045	0.0166	0.5
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0166	0.0174
Echinococcus granulosus	epidermal retinal dehydrogenase 2	0.0045	0.0166	0.0174
Onchocerca volvulus		0.0045	0.0166	1
Brugia malayi	jmjC domain containing protein	0.0035	0.0065	0.0069
Brugia malayi	Retinol dehydrogenase 12	0.0045	0.0166	0.0174
Mycobacterium tuberculosis	Probable oxidoreductase	0.0045	0.0166	0.5
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0016	0.0016
Schistosoma mansoni	steroid dehydrogenase	0.0045	0.0166	0.0174
Entamoeba histolytica	estradiol 17-beta-dehydrogenase, putative	0.0045	0.0166	0.5
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0045	0.0166	0.0243
Echinococcus multilocularis	conserved hypothetical protein	0.0045	0.0166	0.0174
Mycobacterium tuberculosis	Probable oxidoreductase	0.0045	0.0166	0.5
Entamoeba histolytica	estradiol 17-beta-dehydrogenase, putative	0.0045	0.0166	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0045	0.0166	0.0174
Echinococcus multilocularis	retinol dehydrogenase 13	0.0045	0.0166	0.0174
Schistosoma mansoni	short chain dehydrogenase	0.0045	0.0166	0.0174
Toxoplasma gondii	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0045	0.0166	0.0174
Schistosoma mansoni	jumonji domain containing protein	0.0076	0.0498	0.0523
Brugia malayi	Dehydrogenases, short chain protein 2	0.0045	0.0166	0.0174
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0045	0.0166	0.0243
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0045	0.0166	0.0174
Echinococcus granulosus	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0045	0.0166	0.0174
Echinococcus multilocularis	steroid dehydrogenase	0.0045	0.0166	0.0174
Mycobacterium leprae	ROBABLE SHORT-CHAIN TYPE DEHYDROGENASE/REDUCTASE	0.0045	0.0166	0.5
Mycobacterium leprae	Probable oxidoreductase	0.0045	0.0166	0.5
Loa Loa (eye worm)	oxidoreductase	0.0045	0.0166	0.0174
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0045	0.0166	0.0174
Echinococcus multilocularis	retinol dehydrogenase 11	0.0045	0.0166	0.0174
Plasmodium vivax	hypothetical protein, conserved	0.0045	0.0166	1
Schistosoma mansoni	short chain dehydrogenase	0.0045	0.0166	0.0174
Echinococcus multilocularis	lysine specific demethylase 5A	0.0035	0.0065	0.0069
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0045	0.0166	0.0174
Mycobacterium tuberculosis	Probable short-chain type oxidoreductase	0.0045	0.0166	0.5
Echinococcus multilocularis	transient receptor potential cation channel	0.0045	0.0166	0.0174
Loa Loa (eye worm)	dihydropteridine reductase-PC	0.092	0.9523	1
Giardia lamblia	Oxidoreductase, short chain dehydrogenase/reductase family	0.0045	0.0166	1
Echinococcus granulosus	hypothetical protein	0.0045	0.0166	0.0174
Mycobacterium tuberculosis	Possible ketoacyl reductase	0.0045	0.0166	0.5
Echinococcus multilocularis	steroid dehydrogenase	0.0045	0.0166	0.0174
Echinococcus granulosus	chromobox protein 1	0.0069	0.0432	0.0454
Onchocerca volvulus		0.0045	0.0166	1
Trichomonas vaginalis	glutaminase, putative	0.0273	0.2604	1
Echinococcus granulosus	WW domain containing oxidoreductase	0.0045	0.0166	0.0174
Brugia malayi	Hypothetical oxidoreductase F56D1.5	0.0045	0.0166	0.0174
Loa Loa (eye worm)	oxidoreductase	0.0045	0.0166	0.0174
Brugia malayi	hypothetical protein	0.0045	0.0166	0.0174
Loa Loa (eye worm)	hypothetical protein	0.005	0.0222	0.0233
Brugia malayi	oxidoreductase	0.0045	0.0166	0.0174
Loa Loa (eye worm)	dehydrogenase	0.0045	0.0166	0.0174
Entamoeba histolytica	short chain dehydrogenase family protein	0.0045	0.0166	0.5
Onchocerca volvulus		0.0031	0.0016	0.0939
Schistosoma mansoni	chromobox protein	0.0069	0.0432	0.0454
Onchocerca volvulus		0.0045	0.0166	1
Toxoplasma gondii	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0045	0.0166	0.0174
Schistosoma mansoni	retinal dehydrogenase	0.0045	0.0166	0.0174
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0045	0.0166	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0045	0.0166	0.0174
Brugia malayi	Heterochromatin protein 1	0.0069	0.0432	0.0454
Trypanosoma brucei	3-keto-dihydrosphingosine reductase	0.0045	0.0166	0.5
Mycobacterium tuberculosis	Probable oxidoreductase	0.0045	0.0166	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0045	0.0166	0.0174
Onchocerca volvulus	Dehydrogenase\/reductase SDR family member 13 homolog	0.0045	0.0166	1
Echinococcus granulosus	3 ketodihydrosphingosine reductase	0.0045	0.0166	0.0174
Schistosoma mansoni	short chain dehydrogenase	0.0045	0.0166	0.0174
Trichomonas vaginalis	steroid dehydrogenase, putative	0.0045	0.0166	0.0243
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0045	0.0166	0.5
Mycobacterium tuberculosis	Possible short-chain dehydrogenase EphD	0.0045	0.0166	0.5
Schistosoma mansoni	steroid dehydrogenase	0.0045	0.0166	0.0174
Schistosoma mansoni	oxidoreductase short chain dehydrogenase/reductase family	0.0045	0.0166	0.0174
Toxoplasma gondii	carbonyl reductase 1, putative	0.0045	0.0166	0.0174
Brugia malayi	glutaminase DH11.1	0.0273	0.2604	0.2734
Onchocerca volvulus		0.0045	0.0166	1
Onchocerca volvulus		0.0045	0.0166	1
Schistosoma mansoni	3-hydroxyacyl-CoA dehydrogenase	0.0045	0.0166	0.0174
Loa Loa (eye worm)	glutaminase	0.0273	0.2604	0.2734
Schistosoma mansoni	carbonyl reductase	0.0045	0.0166	0.0174
Schistosoma mansoni	steroid dehydrogenase	0.0045	0.0166	0.0174
Onchocerca volvulus		0.0045	0.0166	1
Mycobacterium ulcerans	glutaminase	0.0273	0.2604	1
Schistosoma mansoni	short chain dehydrogenase	0.0045	0.0166	0.0174
Schistosoma mansoni	short chain dehydrogenase	0.0045	0.0166	0.0174
Echinococcus multilocularis	carbonyl reductase 1	0.0045	0.0166	0.0174
Echinococcus granulosus	carbonyl reductase 1	0.0045	0.0166	0.0174
Mycobacterium tuberculosis	Probable dehydrogenase/reductase	0.0045	0.0166	0.5
Brugia malayi	chromobox protein homolog 3	0.0039	0.0106	0.0111
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0039	0.0106	0.6354
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0045	0.0166	0.0174
Echinococcus multilocularis	Dehydrogenase:reductase SDR family	0.0045	0.0166	0.0174
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0045	0.0166	0.0243
Toxoplasma gondii	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0045	0.0166	0.0174
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0166	0.0174
Trichomonas vaginalis	chromobox protein, putative	0.0042	0.0137	0.0127
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0035	0.0065	0.0069
Mycobacterium tuberculosis	Possible iron-regulated short-chain dehydrogenase/reductase	0.0045	0.0166	0.5
Schistosoma mansoni	steroid dehydrogenase	0.0045	0.0166	0.0174
Trypanosoma cruzi	quinonoid dihydropteridine reductase, putative	0.0964	1	1
Schistosoma mansoni	steroid dehydrogenase	0.0045	0.0166	0.0174
Mycobacterium leprae	Probable short-chain type dehydrogenase/reductase	0.0045	0.0166	0.5
Trichomonas vaginalis	hydroxyacyl dehydrogenase, putative	0.0045	0.0166	0.0243
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0045	0.0166	0.0243
Onchocerca volvulus		0.0045	0.0166	1
Echinococcus multilocularis	3 ketodihydrosphingosine reductase	0.0045	0.0166	0.0174
Loa Loa (eye worm)	oxidoreductase	0.0045	0.0166	0.0174
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0045	0.0166	0.0174
Schistosoma mansoni	short chain dehydrogenase	0.0045	0.0166	0.0174
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0045	0.0166	0.0243
Trichomonas vaginalis	estradiol 17 beta-dehydrogenase, putative	0.0045	0.0166	0.0243
Loa Loa (eye worm)	oxidoreductase	0.0045	0.0166	0.0174
Giardia lamblia	Hypothetical protein	0.0045	0.0166	1
Echinococcus multilocularis	estradiol 17 beta dehydrogenase 12	0.0045	0.0166	0.0174
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0166	0.0174
Mycobacterium tuberculosis	Decaprenylphosphoryl-D-2-keto erythro pentose reductase	0.0045	0.0166	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0045	0.0166	0.0174
Echinococcus multilocularis	carbonyl reductase 1	0.0045	0.0166	0.0174
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0045	0.0166	0.0174
Entamoeba histolytica	hypothetical protein, conserved	0.0045	0.0166	0.5
Echinococcus multilocularis	epidermal retinal dehydrogenase 2	0.0045	0.0166	0.0174
Mycobacterium tuberculosis	Possible oxidoreductase	0.0045	0.0166	0.5
Echinococcus multilocularis	chromobox protein 1	0.0069	0.0432	0.0454
Schistosoma mansoni	chromobox protein	0.0069	0.0432	0.0454
Toxoplasma gondii	3-ketoacyl-CoA reductase, putative	0.0045	0.0166	0.0174
Trichomonas vaginalis	short-chain dehydrogenases/reductase, putative	0.0045	0.0166	0.0243
Loa Loa (eye worm)	oxidoreductase	0.0045	0.0166	0.0174
Mycobacterium tuberculosis	Probable dehydrogenase	0.0045	0.0166	0.5
Trypanosoma brucei	3-ketoacyl-CoA reductase, putative	0.0045	0.0166	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0045	0.0166	0.0174
Brugia malayi	dihydropteridine reductase-like	0.092	0.9523	1
Giardia lamblia	Reductase, putative	0.0045	0.0166	1
Loa Loa (eye worm)	oxidoreductase	0.0045	0.0166	0.0174
Entamoeba histolytica	oxidoreductase, short chain dehydrogenase/reductase family	0.0045	0.0166	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0045	0.0166	0.0174
Loa Loa (eye worm)	jmjC domain-containing protein	0.006	0.0331	0.0348
Loa Loa (eye worm)	jmjC domain-containing protein	0.0035	0.0065	0.0069
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0045	0.0166	0.5
Echinococcus granulosus	chromobox protein 1	0.0069	0.0432	0.0454
Mycobacterium tuberculosis	Probable oxidoreductase	0.0045	0.0166	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0045	0.0166	0.0174
Leishmania major	quinonoid dihydropteridine reductase	0.0964	1	1
Toxoplasma gondii	oxidoreductase, putative	0.0045	0.0166	0.0174
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0045	0.0166	0.0174
Echinococcus granulosus	lysine specific demethylase 5A	0.0035	0.0065	0.0069
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0166	0.0174
Loa Loa (eye worm)	dehydrogenase	0.0045	0.0166	0.0174
Echinococcus multilocularis	chromobox protein 1	0.0069	0.0432	0.0454
Entamoeba histolytica	hypothetical protein	0.0045	0.0166	0.5
Schistosoma mansoni	steroid dehydrogenase	0.0045	0.0166	0.0174
Schistosoma mansoni	dihydropteridine reductase	0.092	0.9523	1
Leishmania major	quinonoid dihydropteridine reductase	0.0964	1	1
Leishmania major	quinonoid dihydropteridine reductase	0.0964	1	1
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0045	0.0166	0.0174
Schistosoma mansoni	steroid dehydrogenase	0.0045	0.0166	0.0174
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0045	0.0166	0.0243
Echinococcus multilocularis	carbonyl reductase 1	0.0045	0.0166	0.0174
Echinococcus granulosus	retinol dehydrogenase 11	0.0045	0.0166	0.0174
Plasmodium falciparum	oxidoreductase, short-chain dehydrogenase family, putative	0.0045	0.0166	1
Trypanosoma brucei	oxidoreductase-like protein	0.0045	0.0166	0.5
Mycobacterium tuberculosis	Possible fatty acyl-CoA reductase	0.0045	0.0166	0.5
Trypanosoma brucei	short-chain dehydrogenase, putative	0.0045	0.0166	0.5
Leishmania major	quinonoid dihydropteridine reductase	0.0964	1	1
Leishmania major	quinonoid dihydropteridine reductase	0.0964	1	1
Brugia malayi	D-beta-hydroxybutyrate dehydrogenase, mitochondrial precursor	0.0045	0.0166	0.0174
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0095	0.0707	0.0743
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0045	0.0166	0.0243
Echinococcus multilocularis	oxidoreductase	0.0045	0.0166	0.0174
Echinococcus multilocularis	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0045	0.0166	0.0174
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0166	0.0174
Loa Loa (eye worm)	oxidoreductase	0.0045	0.0166	0.0174
Schistosoma mansoni	steroid dehydrogenase	0.0045	0.0166	0.0174
Onchocerca volvulus		0.0045	0.0166	1
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0106	0.0111
Plasmodium vivax	steroid dehydrogenase, putative	0.0045	0.0166	1
Schistosoma mansoni	hypothetical protein	0.0034	0.0052	0.0055
Trypanosoma brucei	short-chain dehydrogenase, putative	0.0045	0.0166	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0045	0.0166	0.0174
Onchocerca volvulus	Dehydrogenase\/reductase SDR family member 1 homolog	0.0045	0.0166	1
Mycobacterium leprae	Possible short-chain dehydrogenase EphD	0.0045	0.0166	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0045	0.0166	0.0174
Schistosoma mansoni	glutaminase	0.0273	0.2604	0.2734
Trypanosoma brucei	short-chain dehydrogenase, putative	0.0045	0.0166	0.5
Toxoplasma gondii	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0045	0.0166	0.0174
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0045	0.0166	0.5
Mycobacterium tuberculosis	Probable dehydrogenase/reductase	0.0045	0.0166	0.5
Loa Loa (eye worm)	oxidoreductase	0.0045	0.0166	0.0174
Mycobacterium tuberculosis	Probable short chain alcohol dehydrogenase/reductase	0.0045	0.0166	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0045	0.0166	0.0174
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0042	0.0137	0.8257
Onchocerca volvulus		0.0045	0.0166	1
Toxoplasma gondii	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0045	0.0166	0.0174
Brugia malayi	jmjC domain containing protein	0.0095	0.0707	0.0743
Toxoplasma gondii	6,7-dihydropteridine reductase	0.092	0.9523	1
Brugia malayi	hypothetical protein	0.0045	0.0166	0.0174
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.005	0.0221	0.0232
Schistosoma mansoni	short chain dehydrogenase	0.0045	0.0166	0.0174
Onchocerca volvulus		0.0045	0.0166	1
Schistosoma mansoni	short-chain dehydrogenase/reductase	0.0045	0.0166	0.0174
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0045	0.0166	0.0243
Echinococcus multilocularis	NAD(P) binding domain	0.092	0.9523	1
Onchocerca volvulus		0.0045	0.0166	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.005	0.0221	0.0232
Onchocerca volvulus		0.0045	0.0166	1
Entamoeba histolytica	short chain dehydrogenase family protein	0.0045	0.0166	0.5
Brugia malayi	dehydrogenases, short chain protein 9	0.0045	0.0166	0.0174
Echinococcus granulosus	Dehydrogenase:reductase SDR family	0.0045	0.0166	0.0174
Mycobacterium tuberculosis	Possible multi-functional enzyme with acyl-CoA-reductase activity AcrA1	0.0045	0.0166	0.5
Trichomonas vaginalis	chromobox protein, putative	0.0069	0.0432	0.1307
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0035	0.0065	0.0069
Brugia malayi	Dehydrogenases, short chain protein 30	0.0045	0.0166	0.0174
Toxoplasma gondii	sterol carrier protein-2 HAD-2SCP-2	0.0045	0.0166	0.0174
Trypanosoma brucei	beta-ketoacyl-ACP reductase 2	0.0045	0.0166	0.5
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0166	0.0174
Schistosoma mansoni	steroid dehydrogenase	0.0045	0.0166	0.0174
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0045	0.0166	0.0174
Schistosoma mansoni	short chain dehydrogenase	0.0045	0.0166	0.0174
Onchocerca volvulus		0.0045	0.0166	1
Echinococcus granulosus	oxidoreductase	0.0045	0.0166	0.0174
Echinococcus granulosus	NADP binding domain	0.092	0.9523	1
Wolbachia endosymbiont of Brugia malayi	Short-chain alcohol dehydrogenase family enzyme	0.0045	0.0166	0.5
Echinococcus multilocularis	retinol dehydrogenase 11	0.0045	0.0166	0.0174
Onchocerca volvulus	Dehydrogenase\/reductase SDR family member 13 homolog	0.0045	0.0166	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0166	0.0174
Echinococcus multilocularis	jumonji domain containing protein	0.004	0.0122	0.0128
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0045	0.0166	0.0174
Echinococcus granulosus	hypothetical protein	0.0045	0.0166	0.0174
Mycobacterium leprae	Probable short-chain type dehydrogenase/reductase	0.0045	0.0166	0.5
Entamoeba histolytica	3-ketodihydrosphingosine reductase protein, putative	0.0045	0.0166	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0045	0.0166	0.0174
Echinococcus granulosus	steroid dehydrogenase	0.0045	0.0166	0.0174
Brugia malayi	dehydrogenases, short chain protein 2	0.0045	0.0166	0.0174
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0045	0.0166	0.0174
Trypanosoma brucei	short-chain dehydrogenase, putative	0.0045	0.0166	0.5
Onchocerca volvulus	Sepiapterin reductase homolog	0.0045	0.0166	1
Loa Loa (eye worm)	heterochromatin protein 1	0.0069	0.0432	0.0454
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0166	0.0174
Echinococcus granulosus	retinol dehydrogenase 11	0.0045	0.0166	0.0174
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0045	0.0166	0.5
Toxoplasma gondii	oxidoreductase, putative	0.0045	0.0166	0.0174
Entamoeba histolytica	estradiol 17-beta-dehydrogenase, putative	0.0045	0.0166	0.5
Trichomonas vaginalis	chromobox protein, putative	0.0042	0.0137	0.0127
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.0052	0.0055
Echinococcus granulosus	jumonji domain containing protein	0.004	0.0122	0.0128
Loa Loa (eye worm)	hypothetical protein	0.005	0.0221	0.0232
Mycobacterium tuberculosis	Probable oxidoreductase	0.0045	0.0166	0.5
Trypanosoma brucei	beta-ketoacyl-ACP reductase 3, putative	0.0045	0.0166	0.5
Leishmania major	quinonoid dihydropteridine reductase	0.0964	1	1
Mycobacterium tuberculosis	Possible oxidoreductase	0.0045	0.0166	0.5
Schistosoma mansoni	carbonyl reductase	0.0045	0.0166	0.0174
Schistosoma mansoni	short chain dehydrogenase	0.0045	0.0166	0.0174
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0166	0.0174
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0045	0.0166	1
Trypanosoma brucei	short-chain dehydrogenase, putative	0.0045	0.0166	0.5
Trypanosoma brucei	beta-D-hydroxybutyrate dehydrogenase	0.0045	0.0166	0.5
Echinococcus granulosus	carbonyl reductase 1	0.0045	0.0166	0.0174
Schistosoma mansoni	carbonyl reductase	0.0045	0.0166	0.0174
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0045	0.0166	0.5
Echinococcus granulosus	carbonyl reductase 1	0.0045	0.0166	0.0174
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0052	0.0055
Mycobacterium tuberculosis	Probable short-chain dehydrogenase/reductase	0.0045	0.0166	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0045	0.0166	0.0174
Mycobacterium tuberculosis	Probable shortchain dehydrogenase	0.0045	0.0166	0.5
Giardia lamblia	Short-chain dehydrogenase, putative	0.0045	0.0166	1
Echinococcus granulosus	carbonyl reductase 1	0.0045	0.0166	0.0174
Loa Loa (eye worm)	short chain dehydrogenase/reductase family oxidoreductase	0.0045	0.0166	0.0174
Toxoplasma gondii	2,4-dienoyl CoA reductase 2, peroxisomal family protein	0.0045	0.0166	0.0174
Schistosoma mansoni	steroid dehydrogenase	0.0045	0.0166	0.0174
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0166	0.0174
Plasmodium falciparum	steroid dehydrogenase, putative	0.0045	0.0166	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.005	0.0221	0.0232
Loa Loa (eye worm)	glutaminase 2	0.0273	0.2604	0.2734

Activities

Activity type	Activity value	Assay description	Source	Reference
CD50 (functional)	= 9.3 nM mouse-1	Convulsant property on icv(intracervical) injection measured as tonus seizures in mouse.	ChEMBL.	10514280
CD50 (functional)	= 9.3 nM mouse-1	Convulsant property on icv(intracervical) injection measured as tonus seizures in mouse.	ChEMBL.	10514280
CD50 (functional)	= 11.9 nM mouse-1	Convulsant property on icv(intracervical) injection measured as tonus seizures in mouse.	ChEMBL.	10514280
CD50 (functional)	= 11.9 nM mouse-1	Convulsant property on icv(intracervical) injection measured as tonus seizures in mouse.	ChEMBL.	10514280
CD50 (functional)	= 44.8 nM mouse-1	Convulsant property on icv(intracervical) injection measured as clonus seizures in mouse.	ChEMBL.	10514280
CD50 (functional)	= 44.8 nM mouse-1	Convulsant property on icv(intracervical) injection measured as clonus seizures in mouse.	ChEMBL.	10514280
CD50 (functional)	= 53.9 nM mouse-1	Convulsant property on icv(intracervical) injection measured as clonus seizures in mouse.	ChEMBL.	10514280
CD50 (functional)	= 53.9 nM mouse-1	Convulsant property on icv(intracervical) injection measured as clonus seizures in mouse.	ChEMBL.	10514280
Potency ratio (functional)	= 1.3	The potency ratio is the ratio between the CD50 value of the drug in the presence of an antagonist versus its CD50 value.	ChEMBL.	10514280
Potency ratio (functional)	= 3.6	The potency ratio is the ratio between the CD50 value of the drug in the presence of an antagonist versus its CD50 value.	ChEMBL.	10514280

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: CHEMBL339957

Bibliographic References

1 literature reference was collected for this gene.

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

Detailed information for compound 227095