TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 504.021 | Formula: C32H26ClN3O
H donors: 0 H acceptors: 1 LogP: 6.89 Rotable bonds: 5
Rule of 5 violations (Lipinski): 2
SMILES: Clc1ccc2c(c1)C(=N[C@@H](C(=O)N2C)Cc1cn(c2c1cccc2)Cc1ccccc1)c1ccccc1
InChi: 1S/C32H26ClN3O/c1-35-29-17-16-25(33)19-27(29)31(23-12-6-3-7-13-23)34-28(32(35)37)18-24-21-36(20-22-10-4-2-5-11-22)30-15-9-8-14-26(24)30/h2-17,19,21,28H,18,20H2,1H3/t28-/m1/s1
InChiKey: LPEQPASJAXUBKT-MUUNZHRXSA-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

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
Giardia lamblia	Oxidoreductase, short chain dehydrogenase/reductase family	0.0171	0.4063	0.5
Trypanosoma brucei	short-chain dehydrogenase, putative	0.0171	0.4063	0.5
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0171	0.4063	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0171	0.4063	0.5
Loa Loa (eye worm)	hypothetical protein	0.0171	0.4063	0.4063
Trypanosoma cruzi	beta-ketoacyl-ACP reductase 2, putative	0.0171	0.4063	0.5
Loa Loa (eye worm)	short chain dehydrogenase/reductase family oxidoreductase	0.0171	0.4063	0.4063
Entamoeba histolytica	estradiol 17-beta-dehydrogenase, putative	0.0171	0.4063	0.5
Mycobacterium tuberculosis	Possible oxidoreductase	0.0171	0.4063	0.5
Schistosoma mansoni	steroid dehydrogenase	0.0171	0.4063	0.7751
Trypanosoma cruzi	short chain dehydrogenase/reductase, putative	0.0171	0.4063	0.5
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0171	0.4063	0.5
Wolbachia endosymbiont of Brugia malayi	Short-chain alcohol dehydrogenase family enzyme	0.0171	0.4063	0.5
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0171	0.4063	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0171	0.4063	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0171	0.4063	0.3122
Echinococcus multilocularis	Dehydrogenase:reductase SDR family	0.0171	0.4063	0.5237
Leishmania major	short chain dehydrogenase-like protein	0.0171	0.4063	0.5
Leishmania major	quinonoid dihydropteridine reductase	0.0171	0.4063	0.5
Trypanosoma brucei	3-ketoacyl-CoA reductase, putative	0.0171	0.4063	0.5
Trypanosoma brucei	short-chain dehydrogenase, putative	0.0171	0.4063	0.5
Onchocerca volvulus		0.0171	0.4063	0.5
Leishmania major	quinonoid dihydropteridine reductase	0.0171	0.4063	0.5
Loa Loa (eye worm)	hypothetical protein	0.0171	0.4063	0.4063
Mycobacterium tuberculosis	Possible iron-regulated short-chain dehydrogenase/reductase	0.0171	0.4063	0.5
Mycobacterium tuberculosis	Probable short chain alcohol dehydrogenase/reductase	0.0171	0.4063	0.5
Brugia malayi	D-beta-hydroxybutyrate dehydrogenase, mitochondrial precursor	0.0171	0.4063	0.3122
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0171	0.4063	0.3122
Toxoplasma gondii	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0171	0.4063	0.5
Trypanosoma cruzi	short-chain dehydrogenase, putative	0.0171	0.4063	0.5
Echinococcus multilocularis	retinol dehydrogenase 13	0.0171	0.4063	0.5237
Leishmania major	quinonoid dihydropteridine reductase	0.0171	0.4063	0.5
Trypanosoma cruzi	3-keto-dihydrosphingosine reductase	0.0171	0.4063	0.5
Loa Loa (eye worm)	oxidoreductase	0.0171	0.4063	0.4063
Onchocerca volvulus		0.0171	0.4063	0.5
Loa Loa (eye worm)	dehydrogenase	0.0171	0.4063	0.4063
Mycobacterium ulcerans	short chain dehydrogenase	0.0171	0.4063	0.5
Echinococcus multilocularis	steroid dehydrogenase	0.0171	0.4063	0.5237
Echinococcus multilocularis	epidermal retinal dehydrogenase 2	0.0171	0.4063	0.5237
Trichomonas vaginalis	short-chain dehydrogenases/reductase, putative	0.0171	0.4063	0.5
Loa Loa (eye worm)	hypothetical protein	0.0171	0.4063	0.4063
Leishmania major	hypothetical protein, conserved	0.0171	0.4063	0.5
Echinococcus multilocularis	carbonyl reductase 1	0.0171	0.4063	0.5237
Trypanosoma cruzi	short chain dehydrogenase, putative	0.0171	0.4063	0.5
Leishmania major	quinonoid dihydropteridine reductase	0.0171	0.4063	0.5
Entamoeba histolytica	3-ketodihydrosphingosine reductase protein, putative	0.0171	0.4063	0.5
Onchocerca volvulus		0.0171	0.4063	0.5
Loa Loa (eye worm)	oxidoreductase	0.0171	0.4063	0.4063
Mycobacterium ulcerans	short chain dehydrogenase	0.0171	0.4063	0.5
Toxoplasma gondii	oxidoreductase, putative	0.0171	0.4063	0.5
Schistosoma mansoni	retinal dehydrogenase	0.0171	0.4063	0.7751
Onchocerca volvulus		0.0171	0.4063	0.5
Schistosoma mansoni	steroid dehydrogenase	0.0171	0.4063	0.7751
Mycobacterium leprae	Probable short-chain type dehydrogenase/reductase	0.0171	0.4063	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0171	0.4063	0.5
Mycobacterium ulcerans	dehydrogenase/reductase	0.0171	0.4063	0.5
Mycobacterium tuberculosis	Probable oxidoreductase	0.0171	0.4063	0.5
Schistosoma mansoni	3-hydroxyacyl-CoA dehydrogenase	0.0171	0.4063	0.7751
Trypanosoma brucei	beta-ketoacyl-ACP reductase 3, putative	0.0171	0.4063	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0171	0.4063	0.5
Entamoeba histolytica	oxidoreductase, short chain dehydrogenase/reductase family	0.0171	0.4063	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0171	0.4063	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0171	0.4063	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0171	0.4063	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0171	0.4063	0.5
Echinococcus granulosus	3 ketodihydrosphingosine reductase	0.0171	0.4063	0.5237
Loa Loa (eye worm)	integrin beta-2	0.0303	1	1
Mycobacterium tuberculosis	Possible multi-functional enzyme with acyl-CoA-reductase activity AcrA1	0.0171	0.4063	0.5
Mycobacterium ulcerans	short-chain dehydrogenase	0.0171	0.4063	0.5
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0171	0.4063	0.5
Echinococcus granulosus	carbonyl reductase 1	0.0171	0.4063	0.5237
Schistosoma mansoni	steroid dehydrogenase	0.0171	0.4063	0.7751
Schistosoma mansoni	3-keto-dihydrosphingosine reductase	0.0171	0.4063	0.7751
Loa Loa (eye worm)	hypothetical protein	0.0171	0.4063	0.4063
Mycobacterium ulcerans	short chain dehydrogenase	0.0171	0.4063	0.5
Echinococcus multilocularis	transient receptor potential cation channel	0.0171	0.4063	0.5237
Mycobacterium tuberculosis	Possible short-chain dehydrogenase EphD	0.0171	0.4063	0.5
Mycobacterium ulcerans	short-chain dehydrogenase	0.0171	0.4063	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0171	0.4063	0.5
Brugia malayi	3-hydroxyacyl-CoA dehydrogenase type II	0.0171	0.4063	0.3122
Mycobacterium leprae	Possible short-chain dehydrogenase EphD	0.0171	0.4063	0.5
Plasmodium falciparum	steroid dehydrogenase, putative	0.0171	0.4063	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0171	0.4063	0.5
Onchocerca volvulus		0.0171	0.4063	0.5
Schistosoma mansoni	steroid dehydrogenase	0.0171	0.4063	0.7751
Trypanosoma cruzi	short chain dehydrogenase/reductase, putative	0.0171	0.4063	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0171	0.4063	0.7751
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0171	0.4063	0.3122
Mycobacterium tuberculosis	Decaprenylphosphoryl-D-2-keto erythro pentose reductase	0.0171	0.4063	0.5
Trypanosoma cruzi	oxidoreductase-like protein, putative	0.0171	0.4063	0.5
Schistosoma mansoni	carbonyl reductase	0.0171	0.4063	0.7751
Loa Loa (eye worm)	oxidoreductase	0.0171	0.4063	0.4063
Schistosoma mansoni	short-chain dehydrogenase/reductase	0.0171	0.4063	0.7751
Echinococcus granulosus	oxidoreductase	0.0171	0.4063	0.5237
Trypanosoma brucei	oxidoreductase-like protein	0.0171	0.4063	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0171	0.4063	0.3122
Schistosoma mansoni	short chain dehydrogenase	0.0171	0.4063	0.7751
Echinococcus multilocularis	integrin beta 2	0.0224	0.6452	1
Leishmania major	pteridine reductase 1	0.0171	0.4063	0.5
Loa Loa (eye worm)	hypothetical protein	0.0171	0.4063	0.4063
Schistosoma mansoni	steroid dehydrogenase	0.0171	0.4063	0.7751
Schistosoma mansoni	short chain dehydrogenase	0.0171	0.4063	0.7751
Schistosoma mansoni	steroid dehydrogenase	0.0171	0.4063	0.7751
Echinococcus multilocularis	retinol dehydrogenase 11	0.0171	0.4063	0.5237
Mycobacterium tuberculosis	Probable oxidoreductase	0.0171	0.4063	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0171	0.4063	0.3122
Leishmania major	short chain dehydrogenase, putative	0.0171	0.4063	0.5
Mycobacterium tuberculosis	Probable dehydrogenase/reductase	0.0171	0.4063	0.5
Mycobacterium tuberculosis	Possible oxidoreductase	0.0171	0.4063	0.5
Toxoplasma gondii	sterol carrier protein-2 HAD-2SCP-2	0.0171	0.4063	0.5
Echinococcus multilocularis	steroid dehydrogenase	0.0171	0.4063	0.5237
Leishmania major	3-keto-dihydrosphingosine reductase	0.0171	0.4063	0.5
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0171	0.4063	0.5
Echinococcus multilocularis	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0171	0.4063	0.5237
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0171	0.4063	0.5
Onchocerca volvulus		0.0171	0.4063	0.5
Mycobacterium tuberculosis	Probable oxidoreductase	0.0171	0.4063	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0171	0.4063	0.5
Trichomonas vaginalis	steroid dehydrogenase, putative	0.0171	0.4063	0.5
Plasmodium falciparum	oxidoreductase, short-chain dehydrogenase family, putative	0.0171	0.4063	0.5
Loa Loa (eye worm)	hypothetical protein	0.0171	0.4063	0.4063
Loa Loa (eye worm)	hypothetical protein	0.0171	0.4063	0.4063
Entamoeba histolytica	short chain dehydrogenase family protein	0.0171	0.4063	0.5
Loa Loa (eye worm)	hypothetical protein	0.0116	0.156	0.156
Loa Loa (eye worm)	oxidoreductase	0.0171	0.4063	0.4063
Brugia malayi	hypothetical protein	0.0171	0.4063	0.3122
Trypanosoma brucei	3-keto-dihydrosphingosine reductase	0.0171	0.4063	0.5
Echinococcus multilocularis	estradiol 17 beta dehydrogenase 12	0.0171	0.4063	0.5237
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0171	0.4063	0.3122
Leishmania major	short chain dehydrogenase, putative	0.0171	0.4063	0.5
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0171	0.4063	0.5
Toxoplasma gondii	oxidoreductase, putative	0.0171	0.4063	0.5
Leishmania major	hypothetical protein, conserved	0.0171	0.4063	0.5
Trypanosoma brucei	short-chain dehydrogenase, putative	0.0171	0.4063	0.5
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0171	0.4063	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0171	0.4063	0.3122
Schistosoma mansoni	short chain dehydrogenase	0.0171	0.4063	0.7751
Schistosoma mansoni	oxidoreductase short chain dehydrogenase/reductase family	0.0171	0.4063	0.7751
Toxoplasma gondii	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0171	0.4063	0.5
Giardia lamblia	Reductase, putative	0.0171	0.4063	0.5
Trypanosoma cruzi	3-keto-dihydrosphingosine reductase	0.0171	0.4063	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0171	0.4063	0.5
Echinococcus granulosus	hypothetical protein	0.0171	0.4063	0.5237
Loa Loa (eye worm)	integrin alpha pat-2	0.0228	0.6614	0.6614
Mycobacterium ulcerans	short-chain dehydrogenase	0.0171	0.4063	0.5
Onchocerca volvulus	Dehydrogenase\/reductase SDR family member 13 homolog	0.0171	0.4063	0.5
Mycobacterium tuberculosis	Probable oxidoreductase	0.0171	0.4063	0.5
Brugia malayi	Retinol dehydrogenase 12	0.0171	0.4063	0.3122
Leishmania major	dehydrogenase-like protein	0.0171	0.4063	0.5
Brugia malayi	Hypothetical oxidoreductase F56D1.5	0.0171	0.4063	0.3122
Entamoeba histolytica	hypothetical protein, conserved	0.0171	0.4063	0.5
Mycobacterium tuberculosis	Probable dehydrogenase	0.0171	0.4063	0.5
Mycobacterium ulcerans	dehydrogenase	0.0171	0.4063	0.5
Onchocerca volvulus		0.0171	0.4063	0.5
Plasmodium vivax	hypothetical protein, conserved	0.0171	0.4063	0.5
Echinococcus granulosus	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0171	0.4063	0.5237
Echinococcus granulosus	carbonyl reductase 1	0.0171	0.4063	0.5237
Trypanosoma cruzi	oxidoreductase-like protein, putative	0.0171	0.4063	0.5
Mycobacterium leprae	ROBABLE SHORT-CHAIN TYPE DEHYDROGENASE/REDUCTASE	0.0171	0.4063	0.5
Trichomonas vaginalis	estradiol 17 beta-dehydrogenase, putative	0.0171	0.4063	0.5
Mycobacterium ulcerans	ketoacyl reductase	0.0171	0.4063	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0171	0.4063	0.7751
Echinococcus granulosus	hypothetical protein	0.0171	0.4063	0.5237
Mycobacterium tuberculosis	Probable shortchain dehydrogenase	0.0171	0.4063	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0171	0.4063	0.5
Schistosoma mansoni	carbonyl reductase	0.0171	0.4063	0.7751
Schistosoma mansoni	steroid dehydrogenase	0.0171	0.4063	0.7751
Giardia lamblia	Short-chain dehydrogenase, putative	0.0171	0.4063	0.5
Mycobacterium ulcerans	dehydrogenase/decarboxylase protein	0.0171	0.4063	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0171	0.4063	0.7751
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0171	0.4063	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0171	0.4063	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0171	0.4063	0.5
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0171	0.4063	0.5
Entamoeba histolytica	estradiol 17-beta-dehydrogenase, putative	0.0171	0.4063	0.5
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0171	0.4063	0.5
Mycobacterium ulcerans	oxidoreductase	0.0171	0.4063	0.5
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0171	0.4063	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0171	0.4063	0.7751
Mycobacterium tuberculosis	Probable short-chain dehydrogenase/reductase	0.0171	0.4063	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0171	0.4063	0.5
Toxoplasma gondii	2,4-dienoyl CoA reductase 2, peroxisomal family protein	0.0171	0.4063	0.5
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0171	0.4063	0.5
Trypanosoma cruzi	NAD(P)-dependent oxidoreductase, putative	0.0171	0.4063	0.5
Mycobacterium tuberculosis	Probable short-chain type oxidoreductase	0.0171	0.4063	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0171	0.4063	0.7751
Mycobacterium ulcerans	short chain dehydrogenase	0.0171	0.4063	0.5
Mycobacterium tuberculosis	Probable oxidoreductase	0.0171	0.4063	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0171	0.4063	0.5
Echinococcus multilocularis	carbonyl reductase 1	0.0171	0.4063	0.5237
Echinococcus granulosus	steroid dehydrogenase	0.0171	0.4063	0.5237
Schistosoma mansoni	short chain dehydrogenase	0.0171	0.4063	0.7751
Mycobacterium ulcerans	short-chain membrane-associated dehydrogenase	0.0171	0.4063	0.5
Echinococcus granulosus	carbonyl reductase 1	0.0171	0.4063	0.5237
Toxoplasma gondii	3-ketoacyl-CoA reductase, putative	0.0171	0.4063	0.5
Echinococcus granulosus	retinol dehydrogenase 11	0.0171	0.4063	0.5237
Mycobacterium leprae	PROBABLE SHORT CHAIN ALCOHOL DEHYDROGENASE/REDUCTASE	0.0171	0.4063	0.5
Mycobacterium ulcerans	ketoacyl reductase	0.0171	0.4063	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0171	0.4063	0.5
Loa Loa (eye worm)	dehydrogenase	0.0171	0.4063	0.4063
Schistosoma mansoni	steroid dehydrogenase	0.0171	0.4063	0.7751
Mycobacterium ulcerans	short chain dehydrogenase	0.0171	0.4063	0.5
Echinococcus granulosus	WW domain containing oxidoreductase	0.0171	0.4063	0.5237
Onchocerca volvulus	Dehydrogenase\/reductase SDR family member 13 homolog	0.0171	0.4063	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0171	0.4063	0.5
Mycobacterium ulcerans	carveol-like dehydrogenase	0.0171	0.4063	0.5
Loa Loa (eye worm)	oxidoreductase	0.0171	0.4063	0.4063
Mycobacterium tuberculosis	Probable dehydrogenase/reductase	0.0171	0.4063	0.5
Echinococcus granulosus	integrin beta 2	0.0224	0.6452	1
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0171	0.4063	0.5
Brugia malayi	oxidoreductase	0.0171	0.4063	0.3122
Loa Loa (eye worm)	oxidoreductase	0.0171	0.4063	0.4063
Mycobacterium leprae	Probable oxidoreductase	0.0171	0.4063	0.5
Leishmania major	hypothetical protein, conserved	0.0171	0.4063	0.5
Mycobacterium ulcerans	oxidoreductase	0.0171	0.4063	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0171	0.4063	0.7751
Brugia malayi	Dehydrogenases, short chain protein 2	0.0171	0.4063	0.3122
Loa Loa (eye worm)	oxidoreductase	0.0171	0.4063	0.4063
Brugia malayi	Dehydrogenases, short chain protein 30	0.0171	0.4063	0.3122
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0171	0.4063	0.3122
Echinococcus multilocularis	3 ketodihydrosphingosine reductase	0.0171	0.4063	0.5237
Loa Loa (eye worm)	oxidoreductase	0.0171	0.4063	0.4063
Schistosoma mansoni	carbonyl reductase	0.0171	0.4063	0.7751
Echinococcus granulosus	Dehydrogenase:reductase SDR family	0.0171	0.4063	0.5237
Mycobacterium tuberculosis	Possible fatty acyl-CoA reductase	0.0171	0.4063	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0171	0.4063	0.5
Leishmania major	quinonoid dihydropteridine reductase	0.0171	0.4063	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0171	0.4063	0.5
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0171	0.4063	0.5
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0171	0.4063	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0171	0.4063	0.7751
Onchocerca volvulus		0.0171	0.4063	0.5
Loa Loa (eye worm)	hypothetical protein	0.0171	0.4063	0.4063
Onchocerca volvulus		0.0171	0.4063	0.5
Trypanosoma brucei	beta-ketoacyl-ACP reductase 2	0.0171	0.4063	0.5
Loa Loa (eye worm)	hypothetical protein	0.0112	0.1368	0.1368
Mycobacterium tuberculosis	Possible ketoacyl reductase	0.0171	0.4063	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0171	0.4063	0.5
Loa Loa (eye worm)	hypothetical protein	0.0171	0.4063	0.4063
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0171	0.4063	0.3122
Leishmania major	quinonoid dihydropteridine reductase	0.0171	0.4063	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0171	0.4063	0.5
Trypanosoma cruzi	beta-ketoacyl-ACP reductase 2, putative	0.0171	0.4063	0.5
Mycobacterium ulcerans	3-alpha-hydroxysteroid dehydrogenase	0.0171	0.4063	0.5
Schistosoma mansoni	integrin beta subunit	0.0178	0.4373	1
Entamoeba histolytica	hypothetical protein, conserved	0.0171	0.4063	0.5
Leishmania major	3-oxoacyl-(acyl-carrier protein) reductase, putative	0.0171	0.4063	0.5
Plasmodium vivax	steroid dehydrogenase, putative	0.0171	0.4063	0.5
Toxoplasma gondii	carbonyl reductase 1, putative	0.0171	0.4063	0.5
Onchocerca volvulus		0.0171	0.4063	0.5
Trypanosoma cruzi	short chain dehydrogenase, putative	0.0171	0.4063	0.5
Mycobacterium ulcerans	short-chain type oxidoreductase	0.0171	0.4063	0.5
Mycobacterium ulcerans	ketoacyl reductase	0.0171	0.4063	0.5
Trypanosoma cruzi	quinonoid dihydropteridine reductase, putative	0.0171	0.4063	0.5
Echinococcus multilocularis	conserved hypothetical protein	0.0171	0.4063	0.5237
Toxoplasma gondii	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0171	0.4063	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0171	0.4063	0.5
Leishmania major	oxidoreductase-like protein	0.0171	0.4063	0.5
Leishmania major	short chain dehydrogenase/reductase, putative	0.0171	0.4063	0.5
Brugia malayi	hypothetical protein	0.0171	0.4063	0.3122
Mycobacterium ulcerans	3-ketoacyl-ACP reductase	0.0171	0.4063	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0171	0.4063	0.3122
Leishmania major	hypothetical protein, conserved	0.0171	0.4063	0.5
Echinococcus multilocularis	oxidoreductase	0.0171	0.4063	0.5237
Entamoeba histolytica	short chain dehydrogenase family protein	0.0171	0.4063	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0171	0.4063	0.5
Echinococcus granulosus	retinol dehydrogenase 11	0.0171	0.4063	0.5237
Onchocerca volvulus	Sepiapterin reductase homolog	0.0171	0.4063	0.5
Trichomonas vaginalis	hydroxyacyl dehydrogenase, putative	0.0171	0.4063	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0171	0.4063	0.3122
Echinococcus multilocularis	carbonyl reductase 1	0.0171	0.4063	0.5237
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0171	0.4063	0.3122
Trypanosoma brucei	short-chain dehydrogenase, putative	0.0171	0.4063	0.5
Brugia malayi	dehydrogenases, short chain protein 2	0.0171	0.4063	0.3122
Onchocerca volvulus		0.0171	0.4063	0.5
Brugia malayi	dehydrogenases, short chain protein 9	0.0171	0.4063	0.3122
Trypanosoma cruzi	short-chain dehydrogenase, putative	0.0171	0.4063	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0171	0.4063	0.3122
Schistosoma mansoni	steroid dehydrogenase	0.0171	0.4063	0.7751
Onchocerca volvulus		0.0171	0.4063	0.5
Echinococcus granulosus	epidermal retinal dehydrogenase 2	0.0171	0.4063	0.5237
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0171	0.4063	0.3122
Echinococcus multilocularis	carbonyl reductase 1	0.0171	0.4063	0.5237
Mycobacterium ulcerans	short chain dehydrogenase	0.0171	0.4063	0.5
Schistosoma mansoni	steroid dehydrogenase	0.0171	0.4063	0.7751
Leishmania major	quinonoid dihydropteridine reductase	0.0171	0.4063	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0171	0.4063	0.7751
Schistosoma mansoni	short chain dehydrogenase	0.0171	0.4063	0.7751
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0171	0.4063	0.5
Loa Loa (eye worm)	hypothetical protein	0.0171	0.4063	0.4063
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0171	0.4063	0.5
Echinococcus granulosus	carbonyl reductase 1	0.0171	0.4063	0.5237
Entamoeba histolytica	hypothetical protein	0.0171	0.4063	0.5
Entamoeba histolytica	estradiol 17-beta-dehydrogenase, putative	0.0171	0.4063	0.5
Giardia lamblia	Hypothetical protein	0.0171	0.4063	0.5
Echinococcus multilocularis	retinol dehydrogenase 11	0.0171	0.4063	0.5237
Loa Loa (eye worm)	hypothetical protein	0.0171	0.4063	0.4063
Trypanosoma brucei	short-chain dehydrogenase, putative	0.0171	0.4063	0.5
Onchocerca volvulus		0.0171	0.4063	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0171	0.4063	0.3122
Loa Loa (eye worm)	oxidoreductase	0.0171	0.4063	0.4063
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0171	0.4063	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0171	0.4063	0.5
Mycobacterium tuberculosis	Probable oxidoreductase	0.0171	0.4063	0.5
Toxoplasma gondii	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0171	0.4063	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0171	0.4063	0.3122
Mycobacterium leprae	Probable short-chain type dehydrogenase/reductase	0.0171	0.4063	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0171	0.4063	0.5
Trypanosoma cruzi	3-ketoacyl-CoA reductase, putative	0.0171	0.4063	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0171	0.4063	0.7751
Schistosoma mansoni	short chain dehydrogenase	0.0171	0.4063	0.7751
Toxoplasma gondii	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0171	0.4063	0.5
Trypanosoma brucei	beta-D-hydroxybutyrate dehydrogenase	0.0171	0.4063	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0171	0.4063	0.5
Brugia malayi	Integrin alpha pat-2 precursor	0.0148	0.2996	0.1886
Trypanosoma cruzi	hypothetical protein, conserved	0.0171	0.4063	0.5
Onchocerca volvulus	Dehydrogenase\/reductase SDR family member 1 homolog	0.0171	0.4063	0.5
Trypanosoma cruzi	NAD(P)-dependent oxidoreductase, putative	0.0171	0.4063	0.5
Mycobacterium ulcerans	short-chain dehydrogenase	0.0171	0.4063	0.5
Trypanosoma cruzi	3-ketoacyl-CoA reductase, putative	0.0171	0.4063	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0171	0.4063	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0171	0.4063	0.3122
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0171	0.4063	0.3122
Leishmania major	hypothetical protein, conserved	0.0171	0.4063	0.5
Leishmania major	short chain dehydrogenase/reductase, putative	0.0171	0.4063	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	> 100 uM	Half-maximal inhibition of [125I]-CCK-33 binding to guinea pig brain(cortex) cholecystokinin receptor	ChEMBL.	2885419
IC50 (functional)	> 100 uM	Half-maximal inhibition of binding of [125I]-gastrin to guinea pig gastric glands	ChEMBL.	2885419
IC50 (binding)	~ 150 uM	Half-maximal inhibition of [125I]-CCK-33 binding to rat pancreas cholecystokinin receptor	ChEMBL.	2885419

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: CHEMBL1907727

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1598493