TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 315.281 | Formula: C15H13N3O5
H donors: 3 H acceptors: 5 LogP: 1.71 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: COC(=O)NCCc1n[nH]c2c1C(=O)c1c(O)cccc1C2=O
InChi: 1S/C15H13N3O5/c1-23-15(22)16-6-5-8-11-12(18-17-8)13(20)7-3-2-4-9(19)10(7)14(11)21/h2-4,19H,5-6H2,1H3,(H,16,22)(H,17,18)
InChiKey: WFGMSKGMJCJZPQ-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

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

TDR Pathogens:

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

Other Pathogens:

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

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	carbonyl reductase 3	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	carbonyl reductase 1	Get druggable targets OG5_128075	All targets in OG5_128075
Toxoplasma gondii	carbonyl reductase 1, putative	Get druggable targets OG5_128075	All targets in OG5_128075
Schistosoma japonicum	Carbonyl reductase [NADPH] 1, putative	Get druggable targets OG5_128075	All targets in OG5_128075
Schistosoma japonicum	ko:K00079 carbonyl reductase (NADPH) [EC1.1.1.184], putative	Get druggable targets OG5_128075	All targets in OG5_128075
Echinococcus multilocularis	carbonyl reductase 1	Get druggable targets OG5_128075	All targets in OG5_128075
Trypanosoma cruzi	short chain dehydrogenase, putative	Get druggable targets OG5_128075	All targets in OG5_128075
Schistosoma mansoni	carbonyl reductase	Get druggable targets OG5_128075	All targets in OG5_128075
Trypanosoma cruzi	short chain dehydrogenase, putative	Get druggable targets OG5_128075	All targets in OG5_128075
Echinococcus multilocularis	carbonyl reductase 1	Get druggable targets OG5_128075	All targets in OG5_128075
Schistosoma mansoni	carbonyl reductase	Get druggable targets OG5_128075	All targets in OG5_128075
Neospora caninum	Dehydrogenases with different specificities, related	Get druggable targets OG5_128075	All targets in OG5_128075
Echinococcus granulosus	carbonyl reductase 1	Get druggable targets OG5_128075	All targets in OG5_128075
Schistosoma mansoni	carbonyl reductase	Get druggable targets OG5_128075	All targets in OG5_128075
Echinococcus granulosus	carbonyl reductase 1	Get druggable targets OG5_128075	All targets in OG5_128075
Echinococcus multilocularis	carbonyl reductase 1	Get druggable targets OG5_128075	All targets in OG5_128075
Echinococcus granulosus	carbonyl reductase 1	Get druggable targets OG5_128075	All targets in OG5_128075
Echinococcus granulosus	carbonyl reductase 1	Get druggable targets OG5_128075	All targets in OG5_128075
Leishmania donovani	short chain dehydrogenase, putative	Get druggable targets OG5_128075	All targets in OG5_128075
Leishmania infantum	short chain dehydrogenase, putative	Get druggable targets OG5_128075	All targets in OG5_128075
Leishmania braziliensis	short chain dehydrogenase, putative	Get druggable targets OG5_128075	All targets in OG5_128075
Leishmania major	short chain dehydrogenase, putative	Get druggable targets OG5_128075	All targets in OG5_128075
Echinococcus multilocularis	carbonyl reductase 1	Get druggable targets OG5_128075	All targets in OG5_128075
Schistosoma mansoni	carbonyl reductase	Get druggable targets OG5_128075	All targets in OG5_128075
Onchocerca volvulus		Get druggable targets OG5_128075	All targets in OG5_128075
Echinococcus multilocularis	carbonyl reductase 1	Get druggable targets OG5_128075	All targets in OG5_128075
Echinococcus granulosus	carbonyl reductase 1	Get druggable targets OG5_128075	All targets in OG5_128075
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	Get druggable targets OG5_128075	All targets in OG5_128075
Leishmania mexicana	short chain dehydrogenase, putative	Get druggable targets OG5_128075	All targets in OG5_128075

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Plasmodium falciparum	oxidoreductase, short-chain dehydrogenase family, putative	carbonyl reductase 3	277 aa	271 aa	24.0 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	retinol dehydrogenase 13	0.0005	0.0188	0.0136
Echinococcus granulosus	carbonyl reductase 1	0.003	0.4425	0.441
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0005	0.0188	0.0184
Echinococcus granulosus	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0005	0.0188	0.0136
Trypanosoma cruzi	hypothetical protein, conserved	0.0005	0.0188	0.0307
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0007	0.0634	0.0586
Schistosoma mansoni	steroid dehydrogenase	0.0005	0.0188	0.0135
Mycobacterium tuberculosis	Possible oxidoreductase	0.0005	0.0188	0.0136
Brugia malayi	Dehydrogenases, short chain protein 2	0.0005	0.0188	0.0184
Onchocerca volvulus		0.0028	0.4088	0.923
Leishmania major	quinonoid dihydropteridine reductase	0.0005	0.0188	0.0136
Trypanosoma cruzi	hypothetical protein, conserved	0.0005	0.0188	0.0307
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0005	0.0188	0.0184
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0019	0.2667	1
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0005	0.0188	0.0184
Brugia malayi	dehydrogenases, short chain protein 9	0.0005	0.0188	0.0184
Mycobacterium tuberculosis	Probable short-chain type oxidoreductase	0.0005	0.0188	0.0136
Mycobacterium tuberculosis	Probable short chain alcohol dehydrogenase/reductase	0.0005	0.0188	0.0136
Onchocerca volvulus		0.0005	0.0188	0.0307
Loa Loa (eye worm)	oxidoreductase	0.0005	0.0188	0.0184
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0005	0.0188	0.0703
Brugia malayi	dehydrogenases, short chain protein 2	0.0005	0.0188	0.0184
Trypanosoma cruzi	short chain dehydrogenase, putative	0.003	0.4425	1
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0188	0.0184
Loa Loa (eye worm)	dehydrogenase	0.0005	0.0188	0.0184
Schistosoma mansoni	cpg binding protein	0.0029	0.4393	0.4363
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0188	0.0184
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0047	0.7357	1
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0062	0.9966	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.7357	0.7369
Trypanosoma cruzi	3-ketoacyl-CoA reductase, putative	0.0005	0.0188	0.0307
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0005	0.0188	0.0184
Schistosoma mansoni	short chain dehydrogenase	0.0005	0.0188	0.0135
Brugia malayi	intermediate filament protein	0.0028	0.4088	0.5524
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0005	0.0188	0.0136
Entamoeba histolytica	hypothetical protein	0.0005	0.0188	0.0514
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0005	0.0188	0.0703
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.003	0.4425	0.5985
Trypanosoma brucei	beta-ketoacyl-ACP reductase 3, putative	0.0005	0.0188	0.0514
Onchocerca volvulus	Dehydrogenase\/reductase SDR family member 1 homolog	0.0005	0.0188	0.0307
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.7357	0.7369
Trypanosoma brucei	short-chain dehydrogenase, putative	0.0005	0.0188	0.0514
Echinococcus granulosus	lamin dm0	0.0028	0.4088	0.4071
Brugia malayi	Dehydrogenases, short chain protein 30	0.0005	0.0188	0.0184
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0525	0.1969
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0019	0.2667	0.5979
Trypanosoma cruzi	3-keto-dihydrosphingosine reductase	0.0005	0.0188	0.0307
Leishmania major	quinonoid dihydropteridine reductase	0.0005	0.0188	0.0136
Echinococcus multilocularis	retinol dehydrogenase 11	0.0005	0.0188	0.0136
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0015	0.1908	0.2539
Toxoplasma gondii	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0005	0.0188	0.0136
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0019	0.2667	0.5979
Schistosoma mansoni	short chain dehydrogenase	0.0005	0.0188	0.0135
Mycobacterium tuberculosis	Probable oxidoreductase	0.0005	0.0188	0.0136
Trypanosoma cruzi	quinonoid dihydropteridine reductase, putative	0.0005	0.0188	0.0307
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0525	0.1969
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0005	0.0188	0.0184
Schistosoma mansoni	short chain dehydrogenase	0.0005	0.0188	0.0135
Echinococcus granulosus	steroid dehydrogenase	0.0005	0.0188	0.0136
Trypanosoma cruzi	short-chain dehydrogenase, putative	0.0005	0.0188	0.0307
Trichomonas vaginalis	carbon catabolite repressor protein, putative	0.0004	0.0053	0.0199
Brugia malayi	D-beta-hydroxybutyrate dehydrogenase, mitochondrial precursor	0.0005	0.0188	0.0184
Schistosoma mansoni	steroid dehydrogenase	0.0005	0.0188	0.0135
Mycobacterium tuberculosis	Probable oxidoreductase	0.0005	0.0188	0.0136
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0525	0.1969
Loa Loa (eye worm)	oxidoreductase	0.0005	0.0188	0.0184
Trichomonas vaginalis	sphingomyelinase C 2 precursor, putative	0.0004	0.0053	0.0199
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0005	0.0188	0.0184
Echinococcus granulosus	3 ketodihydrosphingosine reductase	0.0005	0.0188	0.0136
Toxoplasma gondii	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0005	0.0188	0.0136
Echinococcus multilocularis	lamin	0.0028	0.4088	0.4071
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0188	0.0184
Trypanosoma cruzi	short chain dehydrogenase, putative	0.003	0.4425	1
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0188	0.0184
Echinococcus multilocularis	3 ketodihydrosphingosine reductase	0.0005	0.0188	0.0136
Schistosoma mansoni	steroid dehydrogenase	0.0005	0.0188	0.0135
Leishmania major	quinonoid dihydropteridine reductase	0.0005	0.0188	0.0136
Plasmodium falciparum	oxidoreductase, short-chain dehydrogenase family, putative	0.0005	0.0188	0.0514
Schistosoma mansoni	short chain dehydrogenase	0.0005	0.0188	0.0135
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0007	0.0634	0.0586
Leishmania major	quinonoid dihydropteridine reductase	0.0005	0.0188	0.0136
Loa Loa (eye worm)	intermediate filament protein	0.0028	0.4088	0.5524
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0007	0.0634	0.0584
Schistosoma mansoni	oxidoreductase short chain dehydrogenase/reductase family	0.0005	0.0188	0.0135
Schistosoma mansoni	steroid dehydrogenase	0.0005	0.0188	0.0135
Giardia lamblia	Hypothetical protein	0.0005	0.0188	0.0514
Schistosoma mansoni	carbonyl reductase	0.003	0.4425	0.4395
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0005	0.0188	0.0184
Mycobacterium leprae	ROBABLE SHORT-CHAIN TYPE DEHYDROGENASE/REDUCTASE	0.0005	0.0188	0.5
Leishmania major	quinonoid dihydropteridine reductase	0.0005	0.0188	0.0136
Toxoplasma gondii	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0005	0.0188	0.0136
Toxoplasma gondii	oxidoreductase, putative	0.0005	0.0188	0.0136
Brugia malayi	Intermediate filament tail domain containing protein	0.0028	0.4088	0.5524
Trypanosoma cruzi	oxidoreductase-like protein, putative	0.0005	0.0188	0.0307
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0062	0.9966	1
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0188	0.0184
Loa Loa (eye worm)	hypothetical protein	0.0013	0.1572	0.208
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0005	0.0188	0.0703
Loa Loa (eye worm)	oxidoreductase	0.0005	0.0188	0.0184
Trichomonas vaginalis	short-chain dehydrogenases/reductase, putative	0.0005	0.0188	0.0703
Echinococcus multilocularis	carbonyl reductase 1	0.0025	0.3629	0.3607
Trichomonas vaginalis	Phospholipase C precursor, putative	0.0004	0.0053	0.0199
Echinococcus multilocularis	lamin dm0	0.0028	0.4088	0.4071
Schistosoma mansoni	retinal dehydrogenase	0.0005	0.0188	0.0135
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.7357	0.7343
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0005	0.0188	0.0184
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0019	0.2667	1
Brugia malayi	hypothetical protein	0.0005	0.0188	0.0184
Schistosoma mansoni	steroid dehydrogenase	0.0005	0.0188	0.0135
Trichomonas vaginalis	type II inositol 5-phosphatase, putative	0.0004	0.0053	0.0199
Toxoplasma gondii	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0005	0.0188	0.0136
Schistosoma mansoni	cpg binding protein	0.0031	0.4678	0.465
Leishmania major	hypothetical protein, conserved	0.0005	0.0188	0.0136
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0005	0.0188	0.0184
Schistosoma mansoni	short chain dehydrogenase	0.0005	0.0188	0.0135
Leishmania major	short chain dehydrogenase, putative	0.0005	0.0188	0.0136
Mycobacterium tuberculosis	Possible fatty acyl-CoA reductase	0.0005	0.0188	0.0136
Echinococcus multilocularis	epidermal retinal dehydrogenase 2	0.0005	0.0188	0.0136
Mycobacterium tuberculosis	Probable oxidoreductase	0.0005	0.0188	0.0136
Schistosoma mansoni	short-chain dehydrogenase/reductase	0.0005	0.0188	0.0135
Echinococcus granulosus	hypothetical protein	0.0005	0.0188	0.0136
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0525	0.1969
Trypanosoma brucei	3-ketoacyl-CoA reductase, putative	0.0005	0.0188	0.0514
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0007	0.0525	0.1969
Echinococcus granulosus	cpg binding protein	0.0031	0.4678	0.4666
Echinococcus granulosus	retinol dehydrogenase 11	0.0005	0.0188	0.0136
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.7357	0.7343
Loa Loa (eye worm)	dehydrogenase	0.0005	0.0188	0.0184
Echinococcus granulosus	WW domain containing oxidoreductase	0.0005	0.0188	0.0136
Brugia malayi	exodeoxyribonuclease III family protein	0.0019	0.2667	0.3578
Schistosoma mansoni	carbonyl reductase	0.003	0.4425	0.4395
Schistosoma mansoni	3-hydroxyacyl-CoA dehydrogenase	0.0005	0.0188	0.0135
Brugia malayi	oxidoreductase	0.0005	0.0188	0.0184
Toxoplasma gondii	oxidoreductase, putative	0.0005	0.0188	0.0136
Toxoplasma gondii	sterol carrier protein-2 HAD-2SCP-2	0.0005	0.0188	0.0136
Leishmania major	hypothetical protein, conserved	0.0005	0.0188	0.0136
Trichomonas vaginalis	ap endonuclease, putative	0.0019	0.2667	1
Onchocerca volvulus		0.0029	0.4393	0.9928
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0019	0.2667	1
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0939	0.0894
Trichomonas vaginalis	carbon catabolite repressor protein, putative	0.0004	0.0053	0.0199
Leishmania major	hypothetical protein, conserved	0.0005	0.0188	0.0136
Trypanosoma cruzi	short chain dehydrogenase/reductase, putative	0.0005	0.0188	0.0307
Mycobacterium tuberculosis	Probable dehydrogenase/reductase	0.0005	0.0188	0.0136
Plasmodium falciparum	steroid dehydrogenase, putative	0.0005	0.0188	0.0514
Brugia malayi	CXXC zinc finger family protein	0.0029	0.4393	0.5942
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0062	0.9966	1
Schistosoma mansoni	short chain dehydrogenase	0.0005	0.0188	0.0135
Echinococcus multilocularis	transient receptor potential cation channel	0.0005	0.0188	0.0136
Echinococcus multilocularis	estradiol 17 beta dehydrogenase 12	0.0005	0.0188	0.0136
Schistosoma mansoni	aldehyde dehydrogenase	0.0062	0.9966	0.9966
Brugia malayi	hypothetical protein	0.0005	0.0188	0.0184
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0013	0.1658	0.1619
Schistosoma mansoni	short chain dehydrogenase	0.0005	0.0188	0.0135
Loa Loa (eye worm)	oxidoreductase	0.0005	0.0188	0.0184
Mycobacterium tuberculosis	Decaprenylphosphoryl-D-2-keto erythro pentose reductase	0.0005	0.0188	0.0136
Loa Loa (eye worm)	oxidoreductase	0.0005	0.0188	0.0184
Schistosoma mansoni	steroid dehydrogenase	0.0005	0.0188	0.0135
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0005	0.0188	0.0703
Leishmania major	hypothetical protein, conserved	0.0005	0.0188	0.0136
Giardia lamblia	Oxidoreductase, short chain dehydrogenase/reductase family	0.0005	0.0188	0.0514
Trichomonas vaginalis	carbon catabolite repressor protein, putative	0.0004	0.0053	0.0199
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0525	0.1969
Leishmania major	short chain dehydrogenase-like protein	0.0005	0.0188	0.0136
Echinococcus granulosus	oxidoreductase	0.0005	0.0188	0.0136
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0525	0.1969
Trypanosoma cruzi	hypothetical protein, conserved	0.0005	0.0188	0.0307
Schistosoma mansoni	steroid dehydrogenase	0.0005	0.0188	0.0135
Mycobacterium tuberculosis	Probable oxidoreductase	0.0005	0.0188	0.0136
Trypanosoma cruzi	short chain dehydrogenase/reductase, putative	0.0005	0.0188	0.0307
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0525	0.1969
Brugia malayi	Retinol dehydrogenase 12	0.0005	0.0188	0.0184
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0019	0.2667	1
Trypanosoma brucei	3-keto-dihydrosphingosine reductase	0.0005	0.0188	0.0514
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0019	0.2667	0.2637
Trypanosoma brucei	short-chain dehydrogenase, putative	0.0005	0.0188	0.0514
Entamoeba histolytica	estradiol 17-beta-dehydrogenase, putative	0.0005	0.0188	0.0514
Onchocerca volvulus		0.0005	0.0188	0.0307
Echinococcus granulosus	intermediate filament protein	0.0028	0.4088	0.4071
Onchocerca volvulus		0.0028	0.4088	0.923
Leishmania major	3-oxoacyl-(acyl-carrier protein) reductase, putative	0.0005	0.0188	0.0136
Schistosoma mansoni	cpg binding protein	0.0031	0.4678	0.465
Echinococcus multilocularis	oxidoreductase	0.0005	0.0188	0.0136
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0056	0.8867	0.8891
Echinococcus granulosus	carbonyl reductase 1	0.003	0.4425	0.441
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0188	0.0184
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0019	0.2667	1
Echinococcus multilocularis	conserved hypothetical protein	0.0005	0.0188	0.0136
Plasmodium vivax	steroid dehydrogenase, putative	0.0005	0.0188	0.0514
Trichomonas vaginalis	estradiol 17 beta-dehydrogenase, putative	0.0005	0.0188	0.0703
Schistosoma mansoni	short chain dehydrogenase	0.0005	0.0188	0.0135
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.7357	0.7369
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0188	0.0184
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0028	0.4088	0.5524
Echinococcus granulosus	hypothetical protein	0.0005	0.0188	0.0136
Trichomonas vaginalis	hydroxyacyl dehydrogenase, putative	0.0005	0.0188	0.0703
Leishmania major	dehydrogenase-like protein	0.0005	0.0188	0.0136
Toxoplasma gondii	exonuclease III APE	0.0019	0.2667	0.2637
Toxoplasma gondii	aldehyde dehydrogenase	0.0062	0.9966	1
Schistosoma mansoni	short chain dehydrogenase	0.0005	0.0188	0.0135
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0525	0.1969
Loa Loa (eye worm)	hypothetical protein	0.0013	0.1572	0.208
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0939	0.0894
Leishmania major	3-keto-dihydrosphingosine reductase	0.0005	0.0188	0.0136
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0005	0.0188	0.0136
Mycobacterium tuberculosis	Probable dehydrogenase	0.0005	0.0188	0.0136
Mycobacterium tuberculosis	Probable shortchain dehydrogenase	0.0005	0.0188	0.0136
Trypanosoma cruzi	beta-ketoacyl-ACP reductase 2, putative	0.0005	0.0188	0.0307
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0007	0.0525	0.1969
Trypanosoma cruzi	short-chain dehydrogenase, putative	0.0005	0.0188	0.0307
Entamoeba histolytica	hypothetical protein, conserved	0.0005	0.0188	0.0514
Leishmania major	short chain dehydrogenase, putative	0.003	0.4425	0.441
Schistosoma mansoni	carbonyl reductase	0.003	0.4425	0.4395
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0005	0.0188	0.0184
Mycobacterium tuberculosis	Probable short-chain dehydrogenase/reductase	0.0005	0.0188	0.0136
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0019	0.2667	1
Schistosoma mansoni	short chain dehydrogenase	0.0005	0.0188	0.0135
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0019	0.2667	0.2637
Loa Loa (eye worm)	hypothetical protein	0.0027	0.4002	0.5406
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0019	0.2667	0.2637
Mycobacterium tuberculosis	Possible short-chain dehydrogenase EphD	0.0005	0.0188	0.0136
Mycobacterium tuberculosis	Possible iron-regulated short-chain dehydrogenase/reductase	0.0005	0.0188	0.0136
Entamoeba histolytica	oxidoreductase, short chain dehydrogenase/reductase family	0.0005	0.0188	0.0514
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0525	0.1969
Entamoeba histolytica	short chain dehydrogenase family protein	0.0005	0.0188	0.0514
Schistosoma mansoni	short chain dehydrogenase	0.0005	0.0188	0.0135
Echinococcus multilocularis	carbonyl reductase 1	0.003	0.4425	0.441
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0005	0.0188	0.0184
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0005	0.0188	0.0703
Echinococcus multilocularis	steroid dehydrogenase	0.0005	0.0188	0.0136
Trypanosoma brucei	short-chain dehydrogenase, putative	0.0005	0.0188	0.0514
Echinococcus multilocularis	retinol dehydrogenase 11	0.0005	0.0188	0.0136
Onchocerca volvulus		0.0005	0.0188	0.0307
Loa Loa (eye worm)	hypothetical protein	0.0013	0.1658	0.2198
Onchocerca volvulus	Dehydrogenase\/reductase SDR family member 13 homolog	0.0005	0.0188	0.0307
Entamoeba histolytica	estradiol 17-beta-dehydrogenase, putative	0.0005	0.0188	0.0514
Schistosoma mansoni	aldehyde dehydrogenase	0.0062	0.9966	0.9966
Schistosoma mansoni	short chain dehydrogenase	0.0005	0.0188	0.0135
Onchocerca volvulus		0.0005	0.0188	0.0307
Mycobacterium leprae	Possible short-chain dehydrogenase EphD	0.0005	0.0188	0.5
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0019	0.2667	1
Onchocerca volvulus		0.0005	0.0188	0.0307
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0005	0.0188	0.0136
Leishmania major	quinonoid dihydropteridine reductase	0.0005	0.0188	0.0136
Toxoplasma gondii	2,4-dienoyl CoA reductase 2, peroxisomal family protein	0.0005	0.0188	0.0136
Loa Loa (eye worm)	short chain dehydrogenase/reductase family oxidoreductase	0.0005	0.0188	0.0184
Echinococcus granulosus	carbonyl reductase 1	0.003	0.4425	0.441
Mycobacterium tuberculosis	Possible ketoacyl reductase	0.0005	0.0188	0.0136
Echinococcus multilocularis	Dehydrogenase:reductase SDR family	0.0005	0.0188	0.0136
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0525	0.1969
Onchocerca volvulus		0.0005	0.0188	0.0307
Toxoplasma gondii	carbonyl reductase 1, putative	0.003	0.4425	0.441
Trypanosoma cruzi	3-keto-dihydrosphingosine reductase	0.0005	0.0188	0.0307
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0525	0.1969
Schistosoma mansoni	steroid dehydrogenase	0.0005	0.0188	0.0135
Onchocerca volvulus		0.0005	0.0188	0.0307
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0005	0.0188	0.0703
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0019	0.2667	0.3578
Mycobacterium leprae	PROBABLE SHORT CHAIN ALCOHOL DEHYDROGENASE/REDUCTASE	0.0005	0.0188	0.5
Schistosoma mansoni	carbonyl reductase	0.0025	0.3629	0.3595
Trypanosoma brucei	beta-D-hydroxybutyrate dehydrogenase	0.0005	0.0188	0.0514
Echinococcus multilocularis	carbonyl reductase 1	0.003	0.4425	0.441
Entamoeba histolytica	3-ketodihydrosphingosine reductase protein, putative	0.0005	0.0188	0.0514
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0525	0.1969
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0525	0.1969
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.7357	0.7343
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0005	0.0188	0.0703
Trypanosoma brucei	short-chain dehydrogenase, putative	0.0005	0.0188	0.0514
Leishmania major	short chain dehydrogenase/reductase, putative	0.0005	0.0188	0.0136
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0005	0.0188	0.0184
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0005	0.0188	0.0184
Leishmania major	short chain dehydrogenase/reductase, putative	0.0005	0.0188	0.0136
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0005	0.0188	0.0136
Entamoeba histolytica	estradiol 17-beta-dehydrogenase, putative	0.0005	0.0188	0.0514
Loa Loa (eye worm)	oxidoreductase	0.0005	0.0188	0.0184
Plasmodium vivax	hypothetical protein, conserved	0.0005	0.0188	0.0514
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0007	0.0634	0.0586
Trypanosoma cruzi	NAD(P)-dependent oxidoreductase, putative	0.0005	0.0188	0.0307
Trypanosoma brucei	beta-ketoacyl-ACP reductase 2	0.0005	0.0188	0.0514
Entamoeba histolytica	hypothetical protein, conserved	0.0005	0.0188	0.0514
Mycobacterium leprae	Probable short-chain type dehydrogenase/reductase	0.0005	0.0188	0.5
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0062	0.9966	1
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0188	0.0184
Trichomonas vaginalis	helicase, putative	0.0007	0.0525	0.1969
Trypanosoma cruzi	3-ketoacyl-CoA reductase, putative	0.0005	0.0188	0.0307
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0005	0.0188	0.0184
Echinococcus granulosus	epidermal retinal dehydrogenase 2	0.0005	0.0188	0.0136
Trypanosoma cruzi	NAD(P)-dependent oxidoreductase, putative	0.0005	0.0188	0.0307
Schistosoma mansoni	short chain dehydrogenase	0.0005	0.0188	0.0135
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.7357	0.7369
Schistosoma mansoni	intermediate filament proteins	0.0028	0.4088	0.4057
Mycobacterium tuberculosis	Possible multi-functional enzyme with acyl-CoA-reductase activity AcrA1	0.0005	0.0188	0.0136
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0062	0.9966	1
Echinococcus multilocularis	cpg binding protein	0.0031	0.4678	0.4666
Loa Loa (eye worm)	oxidoreductase	0.0005	0.0188	0.0184
Schistosoma mansoni	3-keto-dihydrosphingosine reductase	0.0005	0.0188	0.0135
Trypanosoma brucei	oxidoreductase-like protein	0.0005	0.0188	0.0514
Onchocerca volvulus	Dehydrogenase\/reductase SDR family member 13 homolog	0.0005	0.0188	0.0307
Mycobacterium tuberculosis	Probable oxidoreductase	0.0005	0.0188	0.0136
Schistosoma mansoni	lamin	0.0028	0.4088	0.4057
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0005	0.0188	0.0184
Mycobacterium leprae	Probable short-chain type dehydrogenase/reductase	0.0005	0.0188	0.5
Toxoplasma gondii	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0005	0.0188	0.0136
Onchocerca volvulus	Sepiapterin reductase homolog	0.0005	0.0188	0.0307
Giardia lamblia	Short-chain dehydrogenase, putative	0.0005	0.0188	0.0514
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0047	0.7357	1
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0525	0.1969
Loa Loa (eye worm)	oxidoreductase	0.0005	0.0188	0.0184
Onchocerca volvulus		0.0005	0.0188	0.0307
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0188	0.0184
Mycobacterium tuberculosis	Probable dehydrogenase/reductase	0.0005	0.0188	0.0136
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0013	0.1658	0.1619
Onchocerca volvulus		0.0005	0.0188	0.0307
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0005	0.0188	0.0184
Brugia malayi	3-hydroxyacyl-CoA dehydrogenase type II	0.0005	0.0188	0.0184
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0005	0.0188	0.0136
Echinococcus granulosus	carbonyl reductase 1	0.003	0.4425	0.441
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0005	0.0188	0.0184
Trypanosoma cruzi	beta-ketoacyl-ACP reductase 2, putative	0.0005	0.0188	0.0307
Echinococcus granulosus	lamin	0.0028	0.4088	0.4071
Loa Loa (eye worm)	oxidoreductase	0.0005	0.0188	0.0184
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0007	0.0634	0.0586
Schistosoma mansoni	lamin	0.0028	0.4088	0.4057
Brugia malayi	Hypothetical oxidoreductase F56D1.5	0.0005	0.0188	0.0184
Mycobacterium tuberculosis	Possible oxidoreductase	0.0005	0.0188	0.0136
Trypanosoma cruzi	hypothetical protein, conserved	0.0005	0.0188	0.0307
Schistosoma mansoni	short chain dehydrogenase	0.0005	0.0188	0.0135
Schistosoma mansoni	ap endonuclease	0.0019	0.2667	0.2628
Echinococcus multilocularis	steroid dehydrogenase	0.0005	0.0188	0.0136
Trichomonas vaginalis	steroid dehydrogenase, putative	0.0005	0.0188	0.0703
Echinococcus multilocularis	musashi	0.0028	0.4088	0.4071
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0062	0.9966	1
Schistosoma mansoni	ap endonuclease	0.0019	0.2667	0.2628
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0188	0.0184
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0019	0.2667	0.2536
Mycobacterium tuberculosis	Probable oxidoreductase	0.0005	0.0188	0.0136
Echinococcus multilocularis	carbonyl reductase 1	0.0025	0.3629	0.3607
Trichomonas vaginalis	skeletal muscle/kidney enriched inositol 5-phosphatase, putative	0.0004	0.0053	0.0199
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0029	0.4393	0.5942
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0005	0.0188	0.0136
Brugia malayi	F/Y-rich N-terminus family protein	0.0009	0.092	0.1186
Schistosoma mansoni	short chain dehydrogenase	0.0005	0.0188	0.0135
Brugia malayi	cytoplasmic intermediate filament protein	0.0015	0.1908	0.2539
Trichomonas vaginalis	ocrl type II inositol 5-phosphatase, putative	0.0004	0.0053	0.0199
Trypanosoma cruzi	oxidoreductase-like protein, putative	0.0005	0.0188	0.0307
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0062	0.9966	1
Leishmania major	oxidoreductase-like protein	0.0005	0.0188	0.0136
Echinococcus multilocularis	carbonyl reductase 1	0.003	0.4425	0.441
Giardia lamblia	Reductase, putative	0.0005	0.0188	0.0514
Toxoplasma gondii	3-ketoacyl-CoA reductase, putative	0.0005	0.0188	0.0136
Echinococcus granulosus	retinol dehydrogenase 11	0.0005	0.0188	0.0136
Loa Loa (eye worm)	hypothetical protein	0.0028	0.4088	0.5524
Schistosoma mansoni	steroid dehydrogenase	0.0005	0.0188	0.0135
Leishmania major	pteridine reductase 1	0.0005	0.0188	0.0136
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0005	0.0188	0.0136
Onchocerca volvulus		0.0005	0.0188	0.0307
Trichomonas vaginalis	ap endonuclease, putative	0.0019	0.2667	1
Trichomonas vaginalis	type IV inositol 5-phosphatase, putative	0.0004	0.0053	0.0199
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0005	0.0188	0.0703
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0005	0.0188	0.0514
Onchocerca volvulus		0.0005	0.0188	0.0307
Leishmania major	quinonoid dihydropteridine reductase	0.0005	0.0188	0.0136
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0004	0.0109	0.0056
Onchocerca volvulus		0.0005	0.0188	0.0307
Echinococcus granulosus	carbonyl reductase 1	0.0025	0.3629	0.3607
Echinococcus granulosus	Dehydrogenase:reductase SDR family	0.0005	0.0188	0.0136
Mycobacterium leprae	Probable oxidoreductase	0.0005	0.0188	0.5
Entamoeba histolytica	short chain dehydrogenase family protein	0.0005	0.0188	0.0514
Trypanosoma cruzi	hypothetical protein, conserved	0.0005	0.0188	0.0307
Onchocerca volvulus		0.003	0.4425	1
Leishmania major	hypothetical protein, conserved	0.0005	0.0188	0.0136
Echinococcus multilocularis	carbonyl reductase 1	0.003	0.4425	0.441
Trypanosoma brucei	short-chain dehydrogenase, putative	0.0005	0.0188	0.0514
Loa Loa (eye worm)	histone methyltransferase	0.0009	0.0939	0.1213
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0525	0.1969
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0019	0.2667	0.2637
Schistosoma mansoni	steroid dehydrogenase	0.0005	0.0188	0.0135
Echinococcus multilocularis	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0005	0.0188	0.0136
Trypanosoma cruzi	hypothetical protein, conserved	0.0005	0.0188	0.0307
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0188	0.0184

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 3 uM	Displacement of menadione from human recombinant CBR expressed in Escherichia coli BL21 (DE3)	ChEMBL.	19959367
IC50 (binding)	= 20 uM	Displacement of daunorubicin from human recombinant CBR expressed in Escherichia coli BL21 (DE3)	ChEMBL.	19959367

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: CHEMBL601512

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1098973