TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 539.072 | Formula: C27H35ClN8O2
H donors: 1 H acceptors: 5 LogP: 4.03 Rotable bonds: 7
Rule of 5 violations (Lipinski): 2
SMILES: CC[C@H]1CN([C@@H](CN1C1CCN(CC1)C(=O)c1ccc(cc1)Cl)C)c1ncc(nc1C)c1nnc(o1)NC
InChi: 1S/C27H35ClN8O2/c1-5-21-16-35(24-18(3)31-23(14-30-24)25-32-33-27(29-4)38-25)17(2)15-36(21)22-10-12-34(13-11-22)26(37)19-6-8-20(28)9-7-19/h6-9,14,17,21-22H,5,10-13,15-16H2,1-4H3,(H,29,33)/t17-,21+/m1/s1
InChiKey: FAYGVZCNVVTEKX-UTKZUKDTSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	chemokine (C-X-C motif) receptor 3	Starlite/ChEMBL	References

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
Mycobacterium ulcerans	short chain dehydrogenase	0.0108	0.5	0.5
Loa Loa (eye worm)	oxidoreductase	0.0108	0.5	0.5
Echinococcus multilocularis	retinol dehydrogenase 13	0.0108	0.5	0.5
Echinococcus multilocularis	carbonyl reductase 1	0.0108	0.5	0.5
Leishmania major	short chain dehydrogenase/reductase, putative	0.0108	0.5	0.5
Echinococcus multilocularis	retinol dehydrogenase 11	0.0108	0.5	0.5
Leishmania major	hypothetical protein, conserved	0.0108	0.5	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0108	0.5	0.5
Toxoplasma gondii	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0108	0.5	0.5
Onchocerca volvulus		0.0108	0.5	0.5
Echinococcus multilocularis	carbonyl reductase 1	0.0108	0.5	0.5
Loa Loa (eye worm)	oxidoreductase	0.0108	0.5	0.5
Trichomonas vaginalis	short-chain dehydrogenases/reductase, putative	0.0108	0.5	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0108	0.5	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0108	0.5	0.5
Trichomonas vaginalis	steroid dehydrogenase, putative	0.0108	0.5	0.5
Loa Loa (eye worm)	short chain dehydrogenase/reductase family oxidoreductase	0.0108	0.5	0.5
Mycobacterium tuberculosis	Possible oxidoreductase	0.0108	0.5	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0108	0.5	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0108	0.5	0.5
Mycobacterium tuberculosis	Possible short-chain dehydrogenase EphD	0.0108	0.5	0.5
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0108	0.5	0.5
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0108	0.5	0.5
Mycobacterium tuberculosis	Probable dehydrogenase/reductase	0.0108	0.5	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0108	0.5	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0108	0.5	0.5
Trypanosoma brucei	beta-ketoacyl-ACP reductase 3, putative	0.0108	0.5	0.5
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0108	0.5	0.5
Mycobacterium tuberculosis	Probable shortchain dehydrogenase	0.0108	0.5	0.5
Loa Loa (eye worm)	oxidoreductase	0.0108	0.5	0.5
Onchocerca volvulus		0.0108	0.5	0.5
Echinococcus multilocularis	retinol dehydrogenase 11	0.0108	0.5	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0108	0.5	0.5
Schistosoma mansoni	steroid dehydrogenase	0.0108	0.5	0.5
Leishmania major	short chain dehydrogenase-like protein	0.0108	0.5	0.5
Onchocerca volvulus		0.0108	0.5	0.5
Onchocerca volvulus		0.0108	0.5	0.5
Brugia malayi	D-beta-hydroxybutyrate dehydrogenase, mitochondrial precursor	0.0108	0.5	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0108	0.5	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0108	0.5	0.5
Entamoeba histolytica	short chain dehydrogenase family protein	0.0108	0.5	0.5
Leishmania major	quinonoid dihydropteridine reductase	0.0108	0.5	0.5
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0108	0.5	0.5
Mycobacterium tuberculosis	Possible multi-functional enzyme with acyl-CoA-reductase activity AcrA1	0.0108	0.5	0.5
Toxoplasma gondii	oxidoreductase, putative	0.0108	0.5	0.5
Leishmania major	hypothetical protein, conserved	0.0108	0.5	0.5
Loa Loa (eye worm)	oxidoreductase	0.0108	0.5	0.5
Brugia malayi	dehydrogenases, short chain protein 9	0.0108	0.5	0.5
Trichomonas vaginalis	estradiol 17 beta-dehydrogenase, putative	0.0108	0.5	0.5
Trypanosoma cruzi	short chain dehydrogenase/reductase, putative	0.0108	0.5	0.5
Mycobacterium tuberculosis	Probable short-chain type oxidoreductase	0.0108	0.5	0.5
Giardia lamblia	Reductase, putative	0.0108	0.5	0.5
Onchocerca volvulus		0.0108	0.5	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0108	0.5	0.5
Mycobacterium ulcerans	short-chain type oxidoreductase	0.0108	0.5	0.5
Trypanosoma cruzi	oxidoreductase-like protein, putative	0.0108	0.5	0.5
Mycobacterium leprae	Probable short-chain type dehydrogenase/reductase	0.0108	0.5	0.5
Echinococcus multilocularis	carbonyl reductase 1	0.0108	0.5	0.5
Trypanosoma brucei	beta-ketoacyl-ACP reductase 2	0.0108	0.5	0.5
Trypanosoma brucei	beta-D-hydroxybutyrate dehydrogenase	0.0108	0.5	0.5
Schistosoma mansoni	steroid dehydrogenase	0.0108	0.5	0.5
Echinococcus granulosus	oxidoreductase	0.0108	0.5	0.5
Loa Loa (eye worm)	hypothetical protein	0.0108	0.5	0.5
Leishmania major	quinonoid dihydropteridine reductase	0.0108	0.5	0.5
Mycobacterium tuberculosis	Possible fatty acyl-CoA reductase	0.0108	0.5	0.5
Onchocerca volvulus		0.0108	0.5	0.5
Leishmania major	short chain dehydrogenase, putative	0.0108	0.5	0.5
Mycobacterium ulcerans	oxidoreductase	0.0108	0.5	0.5
Mycobacterium ulcerans	3-alpha-hydroxysteroid dehydrogenase	0.0108	0.5	0.5
Echinococcus multilocularis	steroid dehydrogenase	0.0108	0.5	0.5
Plasmodium vivax	steroid dehydrogenase, putative	0.0108	0.5	0.5
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0108	0.5	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0108	0.5	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0108	0.5	0.5
Trypanosoma cruzi	NAD(P)-dependent oxidoreductase, putative	0.0108	0.5	0.5
Mycobacterium ulcerans	short-chain dehydrogenase	0.0108	0.5	0.5
Brugia malayi	hypothetical protein	0.0108	0.5	0.5
Schistosoma mansoni	steroid dehydrogenase	0.0108	0.5	0.5
Echinococcus multilocularis	carbonyl reductase 1	0.0108	0.5	0.5
Mycobacterium tuberculosis	Probable short-chain dehydrogenase/reductase	0.0108	0.5	0.5
Leishmania major	quinonoid dihydropteridine reductase	0.0108	0.5	0.5
Leishmania major	hypothetical protein, conserved	0.0108	0.5	0.5
Schistosoma mansoni	carbonyl reductase	0.0108	0.5	0.5
Echinococcus granulosus	carbonyl reductase 1	0.0108	0.5	0.5
Trypanosoma cruzi	3-keto-dihydrosphingosine reductase	0.0108	0.5	0.5
Mycobacterium tuberculosis	Probable short chain alcohol dehydrogenase/reductase	0.0108	0.5	0.5
Plasmodium falciparum	oxidoreductase, short-chain dehydrogenase family, putative	0.0108	0.5	0.5
Echinococcus multilocularis	oxidoreductase	0.0108	0.5	0.5
Onchocerca volvulus	Dehydrogenase\/reductase SDR family member 13 homolog	0.0108	0.5	0.5
Onchocerca volvulus		0.0108	0.5	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0108	0.5	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0108	0.5	0.5
Leishmania major	quinonoid dihydropteridine reductase	0.0108	0.5	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0108	0.5	0.5
Schistosoma mansoni	steroid dehydrogenase	0.0108	0.5	0.5
Mycobacterium tuberculosis	Probable dehydrogenase	0.0108	0.5	0.5
Onchocerca volvulus		0.0108	0.5	0.5
Loa Loa (eye worm)	hypothetical protein	0.0108	0.5	0.5
Schistosoma mansoni	steroid dehydrogenase	0.0108	0.5	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0108	0.5	0.5
Toxoplasma gondii	2,4-dienoyl CoA reductase 2, peroxisomal family protein	0.0108	0.5	0.5
Mycobacterium ulcerans	dehydrogenase/decarboxylase protein	0.0108	0.5	0.5
Toxoplasma gondii	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0108	0.5	0.5
Leishmania major	quinonoid dihydropteridine reductase	0.0108	0.5	0.5
Giardia lamblia	Hypothetical protein	0.0108	0.5	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0108	0.5	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0108	0.5	0.5
Echinococcus granulosus	carbonyl reductase 1	0.0108	0.5	0.5
Mycobacterium ulcerans	short-chain dehydrogenase	0.0108	0.5	0.5
Trichomonas vaginalis	hydroxyacyl dehydrogenase, putative	0.0108	0.5	0.5
Mycobacterium leprae	Probable oxidoreductase	0.0108	0.5	0.5
Loa Loa (eye worm)	hypothetical protein	0.0108	0.5	0.5
Wolbachia endosymbiont of Brugia malayi	Short-chain alcohol dehydrogenase family enzyme	0.0108	0.5	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0108	0.5	0.5
Entamoeba histolytica	hypothetical protein	0.0108	0.5	0.5
Mycobacterium ulcerans	carveol-like dehydrogenase	0.0108	0.5	0.5
Loa Loa (eye worm)	hypothetical protein	0.0108	0.5	0.5
Trypanosoma brucei	short-chain dehydrogenase, putative	0.0108	0.5	0.5
Trypanosoma cruzi	short chain dehydrogenase, putative	0.0108	0.5	0.5
Mycobacterium ulcerans	ketoacyl reductase	0.0108	0.5	0.5
Trypanosoma cruzi	short chain dehydrogenase/reductase, putative	0.0108	0.5	0.5
Echinococcus granulosus	epidermal retinal dehydrogenase 2	0.0108	0.5	0.5
Leishmania major	pteridine reductase 1	0.0108	0.5	0.5
Schistosoma mansoni	steroid dehydrogenase	0.0108	0.5	0.5
Leishmania major	hypothetical protein, conserved	0.0108	0.5	0.5
Giardia lamblia	Short-chain dehydrogenase, putative	0.0108	0.5	0.5
Loa Loa (eye worm)	oxidoreductase	0.0108	0.5	0.5
Loa Loa (eye worm)	hypothetical protein	0.0108	0.5	0.5
Trypanosoma cruzi	quinonoid dihydropteridine reductase, putative	0.0108	0.5	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0108	0.5	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0108	0.5	0.5
Brugia malayi	Hypothetical oxidoreductase F56D1.5	0.0108	0.5	0.5
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0108	0.5	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0108	0.5	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0108	0.5	0.5
Echinococcus granulosus	retinol dehydrogenase 11	0.0108	0.5	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0108	0.5	0.5
Echinococcus multilocularis	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0108	0.5	0.5
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0108	0.5	0.5
Echinococcus granulosus	steroid dehydrogenase	0.0108	0.5	0.5
Onchocerca volvulus		0.0108	0.5	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0108	0.5	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0108	0.5	0.5
Schistosoma mansoni	steroid dehydrogenase	0.0108	0.5	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0108	0.5	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0108	0.5	0.5
Leishmania major	3-keto-dihydrosphingosine reductase	0.0108	0.5	0.5
Mycobacterium ulcerans	3-ketoacyl-ACP reductase	0.0108	0.5	0.5
Toxoplasma gondii	oxidoreductase, putative	0.0108	0.5	0.5
Trypanosoma brucei	short-chain dehydrogenase, putative	0.0108	0.5	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0108	0.5	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0108	0.5	0.5
Echinococcus granulosus	WW domain containing oxidoreductase	0.0108	0.5	0.5
Mycobacterium leprae	ROBABLE SHORT-CHAIN TYPE DEHYDROGENASE/REDUCTASE	0.0108	0.5	0.5
Mycobacterium leprae	Probable short-chain type dehydrogenase/reductase	0.0108	0.5	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0108	0.5	0.5
Echinococcus multilocularis	Dehydrogenase:reductase SDR family	0.0108	0.5	0.5
Mycobacterium tuberculosis	Probable oxidoreductase	0.0108	0.5	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0108	0.5	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0108	0.5	0.5
Trypanosoma cruzi	short-chain dehydrogenase, putative	0.0108	0.5	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0108	0.5	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0108	0.5	0.5
Mycobacterium tuberculosis	Possible ketoacyl reductase	0.0108	0.5	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0108	0.5	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0108	0.5	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0108	0.5	0.5
Loa Loa (eye worm)	hypothetical protein	0.0108	0.5	0.5
Loa Loa (eye worm)	oxidoreductase	0.0108	0.5	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0108	0.5	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0108	0.5	0.5
Trypanosoma brucei	short-chain dehydrogenase, putative	0.0108	0.5	0.5
Trypanosoma cruzi	NAD(P)-dependent oxidoreductase, putative	0.0108	0.5	0.5
Leishmania major	oxidoreductase-like protein	0.0108	0.5	0.5
Echinococcus multilocularis	epidermal retinal dehydrogenase 2	0.0108	0.5	0.5
Echinococcus granulosus	retinol dehydrogenase 11	0.0108	0.5	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0108	0.5	0.5
Trypanosoma cruzi	short chain dehydrogenase, putative	0.0108	0.5	0.5
Mycobacterium tuberculosis	Probable oxidoreductase	0.0108	0.5	0.5
Onchocerca volvulus	Dehydrogenase\/reductase SDR family member 1 homolog	0.0108	0.5	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0108	0.5	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0108	0.5	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0108	0.5	0.5
Trypanosoma brucei	short-chain dehydrogenase, putative	0.0108	0.5	0.5
Leishmania major	hypothetical protein, conserved	0.0108	0.5	0.5
Plasmodium falciparum	steroid dehydrogenase, putative	0.0108	0.5	0.5
Echinococcus granulosus	Dehydrogenase:reductase SDR family	0.0108	0.5	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0108	0.5	0.5
Loa Loa (eye worm)	oxidoreductase	0.0108	0.5	0.5
Onchocerca volvulus		0.0108	0.5	0.5
Trypanosoma cruzi	beta-ketoacyl-ACP reductase 2, putative	0.0108	0.5	0.5
Mycobacterium tuberculosis	Possible iron-regulated short-chain dehydrogenase/reductase	0.0108	0.5	0.5
Leishmania major	short chain dehydrogenase/reductase, putative	0.0108	0.5	0.5
Entamoeba histolytica	short chain dehydrogenase family protein	0.0108	0.5	0.5
Trypanosoma cruzi	short-chain dehydrogenase, putative	0.0108	0.5	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0108	0.5	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0108	0.5	0.5
Echinococcus multilocularis	transient receptor potential cation channel	0.0108	0.5	0.5
Schistosoma mansoni	steroid dehydrogenase	0.0108	0.5	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0108	0.5	0.5
Entamoeba histolytica	hypothetical protein, conserved	0.0108	0.5	0.5
Onchocerca volvulus	Sepiapterin reductase homolog	0.0108	0.5	0.5
Mycobacterium ulcerans	ketoacyl reductase	0.0108	0.5	0.5
Entamoeba histolytica	estradiol 17-beta-dehydrogenase, putative	0.0108	0.5	0.5
Trypanosoma cruzi	3-keto-dihydrosphingosine reductase	0.0108	0.5	0.5
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0108	0.5	0.5
Trypanosoma cruzi	oxidoreductase-like protein, putative	0.0108	0.5	0.5
Brugia malayi	oxidoreductase	0.0108	0.5	0.5
Plasmodium vivax	hypothetical protein, conserved	0.0108	0.5	0.5
Schistosoma mansoni	carbonyl reductase	0.0108	0.5	0.5
Trypanosoma cruzi	beta-ketoacyl-ACP reductase 2, putative	0.0108	0.5	0.5
Echinococcus multilocularis	conserved hypothetical protein	0.0108	0.5	0.5
Giardia lamblia	Oxidoreductase, short chain dehydrogenase/reductase family	0.0108	0.5	0.5
Loa Loa (eye worm)	hypothetical protein	0.0108	0.5	0.5
Toxoplasma gondii	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0108	0.5	0.5
Echinococcus granulosus	hypothetical protein	0.0108	0.5	0.5
Loa Loa (eye worm)	dehydrogenase	0.0108	0.5	0.5
Echinococcus granulosus	carbonyl reductase 1	0.0108	0.5	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0108	0.5	0.5
Trypanosoma brucei	3-keto-dihydrosphingosine reductase	0.0108	0.5	0.5
Onchocerca volvulus	Dehydrogenase\/reductase SDR family member 13 homolog	0.0108	0.5	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0108	0.5	0.5
Schistosoma mansoni	3-hydroxyacyl-CoA dehydrogenase	0.0108	0.5	0.5
Toxoplasma gondii	carbonyl reductase 1, putative	0.0108	0.5	0.5
Mycobacterium tuberculosis	Decaprenylphosphoryl-D-2-keto erythro pentose reductase	0.0108	0.5	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0108	0.5	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0108	0.5	0.5
Trypanosoma brucei	3-ketoacyl-CoA reductase, putative	0.0108	0.5	0.5
Brugia malayi	Dehydrogenases, short chain protein 2	0.0108	0.5	0.5
Brugia malayi	hypothetical protein	0.0108	0.5	0.5
Mycobacterium ulcerans	short-chain dehydrogenase	0.0108	0.5	0.5
Leishmania major	quinonoid dihydropteridine reductase	0.0108	0.5	0.5
Entamoeba histolytica	estradiol 17-beta-dehydrogenase, putative	0.0108	0.5	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0108	0.5	0.5
Loa Loa (eye worm)	hypothetical protein	0.0108	0.5	0.5
Entamoeba histolytica	hypothetical protein, conserved	0.0108	0.5	0.5
Schistosoma mansoni	steroid dehydrogenase	0.0108	0.5	0.5
Toxoplasma gondii	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0108	0.5	0.5
Brugia malayi	3-hydroxyacyl-CoA dehydrogenase type II	0.0108	0.5	0.5
Schistosoma mansoni	3-keto-dihydrosphingosine reductase	0.0108	0.5	0.5
Mycobacterium ulcerans	oxidoreductase	0.0108	0.5	0.5
Loa Loa (eye worm)	oxidoreductase	0.0108	0.5	0.5
Toxoplasma gondii	3-ketoacyl-CoA reductase, putative	0.0108	0.5	0.5
Mycobacterium tuberculosis	Probable dehydrogenase/reductase	0.0108	0.5	0.5
Mycobacterium ulcerans	short-chain membrane-associated dehydrogenase	0.0108	0.5	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0108	0.5	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0108	0.5	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0108	0.5	0.5
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0108	0.5	0.5
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0108	0.5	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0108	0.5	0.5
Echinococcus granulosus	hypothetical protein	0.0108	0.5	0.5
Echinococcus multilocularis	3 ketodihydrosphingosine reductase	0.0108	0.5	0.5
Mycobacterium ulcerans	ketoacyl reductase	0.0108	0.5	0.5
Loa Loa (eye worm)	dehydrogenase	0.0108	0.5	0.5
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0108	0.5	0.5
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0108	0.5	0.5
Leishmania major	short chain dehydrogenase, putative	0.0108	0.5	0.5
Echinococcus granulosus	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0108	0.5	0.5
Schistosoma mansoni	short-chain dehydrogenase/reductase	0.0108	0.5	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0108	0.5	0.5
Mycobacterium leprae	Possible short-chain dehydrogenase EphD	0.0108	0.5	0.5
Brugia malayi	Retinol dehydrogenase 12	0.0108	0.5	0.5
Mycobacterium tuberculosis	Possible oxidoreductase	0.0108	0.5	0.5
Leishmania major	quinonoid dihydropteridine reductase	0.0108	0.5	0.5
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0108	0.5	0.5
Onchocerca volvulus		0.0108	0.5	0.5
Mycobacterium tuberculosis	Probable oxidoreductase	0.0108	0.5	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0108	0.5	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0108	0.5	0.5
Echinococcus multilocularis	estradiol 17 beta dehydrogenase 12	0.0108	0.5	0.5
Loa Loa (eye worm)	hypothetical protein	0.0108	0.5	0.5
Entamoeba histolytica	estradiol 17-beta-dehydrogenase, putative	0.0108	0.5	0.5
Trypanosoma cruzi	3-ketoacyl-CoA reductase, putative	0.0108	0.5	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0108	0.5	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0108	0.5	0.5
Entamoeba histolytica	oxidoreductase, short chain dehydrogenase/reductase family	0.0108	0.5	0.5
Loa Loa (eye worm)	hypothetical protein	0.0108	0.5	0.5
Leishmania major	3-oxoacyl-(acyl-carrier protein) reductase, putative	0.0108	0.5	0.5
Entamoeba histolytica	3-ketodihydrosphingosine reductase protein, putative	0.0108	0.5	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0108	0.5	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0108	0.5	0.5
Loa Loa (eye worm)	hypothetical protein	0.0108	0.5	0.5
Echinococcus granulosus	3 ketodihydrosphingosine reductase	0.0108	0.5	0.5
Toxoplasma gondii	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0108	0.5	0.5
Schistosoma mansoni	retinal dehydrogenase	0.0108	0.5	0.5
Mycobacterium leprae	PROBABLE SHORT CHAIN ALCOHOL DEHYDROGENASE/REDUCTASE	0.0108	0.5	0.5
Brugia malayi	dehydrogenases, short chain protein 2	0.0108	0.5	0.5
Mycobacterium tuberculosis	Probable oxidoreductase	0.0108	0.5	0.5
Leishmania major	dehydrogenase-like protein	0.0108	0.5	0.5
Schistosoma mansoni	steroid dehydrogenase	0.0108	0.5	0.5
Trypanosoma brucei	oxidoreductase-like protein	0.0108	0.5	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0108	0.5	0.5
Toxoplasma gondii	sterol carrier protein-2 HAD-2SCP-2	0.0108	0.5	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0108	0.5	0.5
Onchocerca volvulus		0.0108	0.5	0.5
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0108	0.5	0.5
Trypanosoma cruzi	3-ketoacyl-CoA reductase, putative	0.0108	0.5	0.5
Mycobacterium tuberculosis	Probable oxidoreductase	0.0108	0.5	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0108	0.5	0.5
Trypanosoma brucei	short-chain dehydrogenase, putative	0.0108	0.5	0.5
Mycobacterium ulcerans	dehydrogenase	0.0108	0.5	0.5
Mycobacterium tuberculosis	Probable oxidoreductase	0.0108	0.5	0.5
Mycobacterium ulcerans	short-chain dehydrogenase	0.0108	0.5	0.5
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0108	0.5	0.5
Schistosoma mansoni	carbonyl reductase	0.0108	0.5	0.5
Echinococcus multilocularis	steroid dehydrogenase	0.0108	0.5	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0108	0.5	0.5
Loa Loa (eye worm)	oxidoreductase	0.0108	0.5	0.5
Mycobacterium ulcerans	dehydrogenase/reductase	0.0108	0.5	0.5
Onchocerca volvulus		0.0108	0.5	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0108	0.5	0.5
Echinococcus granulosus	carbonyl reductase 1	0.0108	0.5	0.5
Schistosoma mansoni	oxidoreductase short chain dehydrogenase/reductase family	0.0108	0.5	0.5
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0108	0.5	0.5
Brugia malayi	Dehydrogenases, short chain protein 30	0.0108	0.5	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 6.2 nM	Binding affinity to human CXCR3 receptor	ChEMBL.	24486132
Inhibition (binding)	= 17 %	Inhibition of human ERG channel by Rb efflux assay	ChEMBL.	24486132

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: CHEMBL3116499

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1834100