TDR Targets

Basic information

Technical information

TDR Targets ID: 1323463
Name: 6-[(2,5-dimethylphenyl)methyl]-3-[(4-fluoroph enyl)methyl]triazolo[4,5-e]pyrimidin-7-one
MW: 363.388 | Formula: C20H18FN5O
H donors: 0 H acceptors: 3 LogP: 3.24 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Fc1ccc(cc1)Cn1nnc2c1ncn(c2=O)Cc1cc(C)ccc1C
InChi: 1S/C20H18FN5O/c1-13-3-4-14(2)16(9-13)11-25-12-22-19-18(20(25)27)23-24-26(19)10-15-5-7-17(21)8-6-15/h3-9,12H,10-11H2,1-2H3
InChiKey: QKYHBZLVDKFOKU-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

6-[(2,5-dimethylphenyl)methyl]-3-[(4-fluorophenyl)methyl]-7-triazolo[4,5-e]pyrimidinone
6-(2,5-dimethylbenzyl)-3-(4-fluorobenzyl)triazolo[4,5-e]pyrimidin-7-one
6-[(2,5-dimethylphenyl)methyl]-3-[(4-fluorophenyl)methyl]-[1,2,3]triazolo[4,5-e]pyrimidin-7-one
MLS000102492
SMR000016685
MLS000092761

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	thyroid stimulating hormone receptor	Starlite/ChEMBL	No references
Homo sapiens	TAR DNA binding protein	Starlite/ChEMBL	No references
Homo sapiens	hydroxyprostaglandin dehydrogenase 15-(NAD)	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus granulosus	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus multilocularis	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	RNA recognition motif domain containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	follicle stimulating hormone receptor	Get druggable targets OG5_130089	All targets in OG5_130089
Loa Loa (eye worm)	follicle stimulating hormone receptor	Get druggable targets OG5_130089	All targets in OG5_130089
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Plasmodium falciparum	steroid dehydrogenase, putative	hydroxyprostaglandin dehydrogenase 15-(NAD)	266 aa	216 aa	22.2 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Entamoeba histolytica	hypothetical protein, conserved	0.0005	0	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0005	0	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0005	0	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.2612	1
Trypanosoma cruzi	beta-ketoacyl-ACP reductase 2, putative	0.0005	0	0.5
Leishmania major	quinonoid dihydropteridine reductase	0.0005	0	0.5
Onchocerca volvulus		0.0005	0	0.5
Mycobacterium leprae	Probable short-chain type dehydrogenase/reductase	0.0005	0	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0005	0	0.5
Mycobacterium tuberculosis	Probable short-chain dehydrogenase/reductase	0.0005	0	0.5
Toxoplasma gondii	oxidoreductase, putative	0.0005	0	0.5
Entamoeba histolytica	oxidoreductase, short chain dehydrogenase/reductase family	0.0005	0	0.5
Toxoplasma gondii	carbonyl reductase 1, putative	0.0005	0	0.5
Mycobacterium leprae	Probable short-chain type dehydrogenase/reductase	0.0005	0	0.5
Toxoplasma gondii	sterol carrier protein-2 HAD-2SCP-2	0.0005	0	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0005	0	0.5
Entamoeba histolytica	short chain dehydrogenase family protein	0.0005	0	0.5
Entamoeba histolytica	hypothetical protein, conserved	0.0005	0	0.5
Onchocerca volvulus	Dehydrogenase\/reductase SDR family member 13 homolog	0.0005	0	0.5
Onchocerca volvulus		0.0005	0	0.5
Mycobacterium tuberculosis	Probable oxidoreductase	0.0005	0	0.5
Leishmania major	quinonoid dihydropteridine reductase	0.0005	0	0.5
Onchocerca volvulus	Dehydrogenase\/reductase SDR family member 13 homolog	0.0005	0	0.5
Mycobacterium tuberculosis	Probable oxidoreductase	0.0005	0	0.5
Leishmania major	hypothetical protein, conserved	0.0005	0	0.5
Trypanosoma brucei	short-chain dehydrogenase, putative	0.0005	0	0.5
Leishmania major	short chain dehydrogenase, putative	0.0005	0	0.5
Mycobacterium ulcerans	ketoacyl reductase	0.0005	0	0.5
Trypanosoma cruzi	3-keto-dihydrosphingosine reductase	0.0005	0	0.5
Mycobacterium ulcerans	ketoacyl reductase	0.0005	0	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0005	0	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.2612	1
Leishmania major	short chain dehydrogenase/reductase, putative	0.0005	0	0.5
Leishmania major	short chain dehydrogenase/reductase, putative	0.0005	0	0.5
Entamoeba histolytica	hypothetical protein	0.0005	0	0.5
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0005	0	0.5
Giardia lamblia	Short-chain dehydrogenase, putative	0.0005	0	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0005	0	0.5
Loa Loa (eye worm)	RNA binding protein	0.0076	0.2612	0.2612
Onchocerca volvulus		0.0005	0	0.5
Trypanosoma cruzi	short chain dehydrogenase/reductase, putative	0.0005	0	0.5
Trypanosoma cruzi	short-chain dehydrogenase, putative	0.0005	0	0.5
Plasmodium falciparum	steroid dehydrogenase, putative	0.0005	0	0.5
Mycobacterium tuberculosis	Probable oxidoreductase	0.0005	0	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0005	0	0.5
Mycobacterium ulcerans	short-chain type oxidoreductase	0.0005	0	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0005	0	0.5
Mycobacterium ulcerans	ketoacyl reductase	0.0005	0	0.5
Mycobacterium leprae	PROBABLE SHORT CHAIN ALCOHOL DEHYDROGENASE/REDUCTASE	0.0005	0	0.5
Trypanosoma cruzi	3-keto-dihydrosphingosine reductase	0.0005	0	0.5
Echinococcus granulosus	tar DNA binding protein	0.0076	0.2612	1
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0005	0	0.5
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0005	0	0.5
Leishmania major	dehydrogenase-like protein	0.0005	0	0.5
Trichomonas vaginalis	hydroxyacyl dehydrogenase, putative	0.0005	0	0.5
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0005	0	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0005	0	0.5
Onchocerca volvulus		0.0005	0	0.5
Brugia malayi	TAR-binding protein	0.0076	0.2612	0.2612
Mycobacterium ulcerans	short chain dehydrogenase	0.0005	0	0.5
Mycobacterium ulcerans	carveol-like dehydrogenase	0.0005	0	0.5
Leishmania major	oxidoreductase-like protein	0.0005	0	0.5
Mycobacterium tuberculosis	Probable short chain alcohol dehydrogenase/reductase	0.0005	0	0.5
Mycobacterium ulcerans	short-chain dehydrogenase	0.0005	0	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.2612	1
Mycobacterium ulcerans	short chain dehydrogenase	0.0005	0	0.5
Trypanosoma cruzi	3-ketoacyl-CoA reductase, putative	0.0005	0	0.5
Onchocerca volvulus		0.0005	0	0.5
Mycobacterium tuberculosis	Possible oxidoreductase	0.0005	0	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0005	0	0.5
Trypanosoma brucei	beta-D-hydroxybutyrate dehydrogenase	0.0005	0	0.5
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.028	1	1
Trypanosoma brucei	3-keto-dihydrosphingosine reductase	0.0005	0	0.5
Trypanosoma cruzi	oxidoreductase-like protein, putative	0.0005	0	0.5
Giardia lamblia	Oxidoreductase, short chain dehydrogenase/reductase family	0.0005	0	0.5
Trichomonas vaginalis	steroid dehydrogenase, putative	0.0005	0	0.5
Leishmania major	hypothetical protein, conserved	0.0005	0	0.5
Trypanosoma brucei	oxidoreductase-like protein	0.0005	0	0.5
Toxoplasma gondii	oxidoreductase, putative	0.0005	0	0.5
Mycobacterium ulcerans	short-chain dehydrogenase	0.0005	0	0.5
Entamoeba histolytica	estradiol 17-beta-dehydrogenase, putative	0.0005	0	0.5
Entamoeba histolytica	short chain dehydrogenase family protein	0.0005	0	0.5
Mycobacterium tuberculosis	Decaprenylphosphoryl-D-2-keto erythro pentose reductase	0.0005	0	0.5
Trypanosoma cruzi	NAD(P)-dependent oxidoreductase, putative	0.0005	0	0.5
Giardia lamblia	Hypothetical protein	0.0005	0	0.5
Plasmodium vivax	steroid dehydrogenase, putative	0.0005	0	0.5
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0005	0	0.5
Mycobacterium ulcerans	dehydrogenase/decarboxylase protein	0.0005	0	0.5
Leishmania major	3-oxoacyl-(acyl-carrier protein) reductase, putative	0.0005	0	0.5
Mycobacterium ulcerans	short-chain dehydrogenase	0.0005	0	0.5
Trypanosoma brucei	short-chain dehydrogenase, putative	0.0005	0	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0005	0	0.5
Trypanosoma cruzi	beta-ketoacyl-ACP reductase 2, putative	0.0005	0	0.5
Leishmania major	quinonoid dihydropteridine reductase	0.0005	0	0.5
Leishmania major	short chain dehydrogenase-like protein	0.0005	0	0.5
Leishmania major	3-keto-dihydrosphingosine reductase	0.0005	0	0.5
Onchocerca volvulus		0.0005	0	0.5
Mycobacterium tuberculosis	Probable oxidoreductase	0.0005	0	0.5
Mycobacterium tuberculosis	Probable oxidoreductase	0.0005	0	0.5
Trypanosoma cruzi	short chain dehydrogenase/reductase, putative	0.0005	0	0.5
Mycobacterium ulcerans	oxidoreductase	0.0005	0	0.5
Mycobacterium tuberculosis	Possible multi-functional enzyme with acyl-CoA-reductase activity AcrA1	0.0005	0	0.5
Mycobacterium leprae	Probable oxidoreductase	0.0005	0	0.5
Trypanosoma brucei	short-chain dehydrogenase, putative	0.0005	0	0.5
Leishmania major	quinonoid dihydropteridine reductase	0.0005	0	0.5
Leishmania major	quinonoid dihydropteridine reductase	0.0005	0	0.5
Trypanosoma cruzi	oxidoreductase-like protein, putative	0.0005	0	0.5
Trichomonas vaginalis	short-chain dehydrogenases/reductase, putative	0.0005	0	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0005	0	0.5
Onchocerca volvulus		0.0005	0	0.5
Toxoplasma gondii	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0005	0	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0005	0	0.5
Wolbachia endosymbiont of Brugia malayi	Short-chain alcohol dehydrogenase family enzyme	0.0005	0	0.5
Mycobacterium ulcerans	dehydrogenase/reductase	0.0005	0	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0005	0	0.5
Onchocerca volvulus		0.0005	0	0.5
Mycobacterium tuberculosis	Probable dehydrogenase	0.0005	0	0.5
Giardia lamblia	Reductase, putative	0.0005	0	0.5
Loa Loa (eye worm)	TAR-binding protein	0.0076	0.2612	0.2612
Onchocerca volvulus		0.0005	0	0.5
Toxoplasma gondii	2,4-dienoyl CoA reductase 2, peroxisomal family protein	0.0005	0	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0005	0	0.5
Trypanosoma brucei	short-chain dehydrogenase, putative	0.0005	0	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0005	0	0.5
Mycobacterium ulcerans	dehydrogenase	0.0005	0	0.5
Mycobacterium tuberculosis	Possible iron-regulated short-chain dehydrogenase/reductase	0.0005	0	0.5
Leishmania major	short chain dehydrogenase, putative	0.0005	0	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.2612	1
Leishmania major	quinonoid dihydropteridine reductase	0.0005	0	0.5
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0005	0	0.5
Mycobacterium tuberculosis	Probable oxidoreductase	0.0005	0	0.5
Trypanosoma cruzi	short chain dehydrogenase, putative	0.0005	0	0.5
Trypanosoma brucei	beta-ketoacyl-ACP reductase 3, putative	0.0005	0	0.5
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0005	0	0.5
Trypanosoma cruzi	short chain dehydrogenase, putative	0.0005	0	0.5
Toxoplasma gondii	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0005	0	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0005	0	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0005	0	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0005	0	0.5
Mycobacterium ulcerans	3-alpha-hydroxysteroid dehydrogenase	0.0005	0	0.5
Mycobacterium leprae	Possible short-chain dehydrogenase EphD	0.0005	0	0.5
Onchocerca volvulus		0.0005	0	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0005	0	0.5
Mycobacterium tuberculosis	Probable dehydrogenase/reductase	0.0005	0	0.5
Trypanosoma cruzi	quinonoid dihydropteridine reductase, putative	0.0005	0	0.5
Toxoplasma gondii	3-ketoacyl-CoA reductase, putative	0.0005	0	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0005	0	0.5
Mycobacterium tuberculosis	Possible short-chain dehydrogenase EphD	0.0005	0	0.5
Trichomonas vaginalis	estradiol 17 beta-dehydrogenase, putative	0.0005	0	0.5
Trypanosoma brucei	beta-ketoacyl-ACP reductase 2	0.0005	0	0.5
Mycobacterium ulcerans	oxidoreductase	0.0005	0	0.5
Plasmodium vivax	hypothetical protein, conserved	0.0005	0	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0005	0	0.5
Trypanosoma cruzi	3-ketoacyl-CoA reductase, putative	0.0005	0	0.5
Onchocerca volvulus		0.0005	0	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.2612	1
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0005	0	0.5
Plasmodium falciparum	oxidoreductase, short-chain dehydrogenase family, putative	0.0005	0	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0005	0	0.5
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0005	0	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0005	0	0.5
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0005	0	0.5
Echinococcus multilocularis	tar DNA binding protein	0.0076	0.2612	1
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0005	0	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0005	0	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0005	0	0.5
Mycobacterium tuberculosis	Possible fatty acyl-CoA reductase	0.0005	0	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0005	0	0.5
Onchocerca volvulus	Sepiapterin reductase homolog	0.0005	0	0.5
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0005	0	0.5
Leishmania major	hypothetical protein, conserved	0.0005	0	0.5
Onchocerca volvulus	Dehydrogenase\/reductase SDR family member 1 homolog	0.0005	0	0.5
Mycobacterium tuberculosis	Probable short-chain type oxidoreductase	0.0005	0	0.5
Leishmania major	pteridine reductase 1	0.0005	0	0.5
Entamoeba histolytica	estradiol 17-beta-dehydrogenase, putative	0.0005	0	0.5
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0005	0	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0005	0	0.5
Leishmania major	quinonoid dihydropteridine reductase	0.0005	0	0.5
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0005	0	0.5
Mycobacterium leprae	ROBABLE SHORT-CHAIN TYPE DEHYDROGENASE/REDUCTASE	0.0005	0	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0005	0	0.5
Mycobacterium tuberculosis	Probable shortchain dehydrogenase	0.0005	0	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0005	0	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0005	0	0.5
Trypanosoma brucei	short-chain dehydrogenase, putative	0.0005	0	0.5
Toxoplasma gondii	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0005	0	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0005	0	0.5
Onchocerca volvulus		0.0005	0	0.5
Trypanosoma brucei	3-ketoacyl-CoA reductase, putative	0.0005	0	0.5
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0005	0	0.5
Toxoplasma gondii	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0005	0	0.5
Trypanosoma cruzi	NAD(P)-dependent oxidoreductase, putative	0.0005	0	0.5
Mycobacterium tuberculosis	Probable dehydrogenase/reductase	0.0005	0	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0005	0	0.5
Mycobacterium tuberculosis	Possible ketoacyl reductase	0.0005	0	0.5
Leishmania major	hypothetical protein, conserved	0.0005	0	0.5
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0005	0	0.5
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0076	0.2612	0.2612
Mycobacterium ulcerans	short chain dehydrogenase	0.0005	0	0.5
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0005	0	0.5
Trypanosoma cruzi	short-chain dehydrogenase, putative	0.0005	0	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0005	0	0.5
Brugia malayi	RNA binding protein	0.0076	0.2612	0.2612
Toxoplasma gondii	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0005	0	0.5
Leishmania major	hypothetical protein, conserved	0.0005	0	0.5
Brugia malayi	RNA recognition motif domain containing protein	0.0076	0.2612	0.2612
Entamoeba histolytica	estradiol 17-beta-dehydrogenase, putative	0.0005	0	0.5
Mycobacterium ulcerans	short-chain membrane-associated dehydrogenase	0.0005	0	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0005	0	0.5
Onchocerca volvulus		0.0005	0	0.5
Mycobacterium ulcerans	3-ketoacyl-ACP reductase	0.0005	0	0.5
Mycobacterium tuberculosis	Possible oxidoreductase	0.0005	0	0.5
Entamoeba histolytica	3-ketodihydrosphingosine reductase protein, putative	0.0005	0	0.5
Mycobacterium ulcerans	short-chain dehydrogenase	0.0005	0	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	1 uM	PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 1.9953 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))]	ChEMBL.	No reference
Potency (functional)	5.6234 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860]	ChEMBL.	No reference
Potency (functional)	16.5113 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	= 19.9526 um	PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 19.9526 um	PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	29.0929 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23
Homo sapiens	ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

ChEMBL: CHEMBL1455578

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1323463