TDR Targets

Basic information

Technical information

TDR Targets ID: 1424214
Name: methyl 2-[(3,5-dimethyl1,2-oxazole-4-carbonyl )amino]-4,5,6,7,8,9-hexahydrocycloocta[d]thio phene-3-carboxylate
MW: 362.443 | Formula: C18H22N2O4S
H donors: 1 H acceptors: 3 LogP: 4.73 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: COC(=O)c1c(sc2c1CCCCCC2)NC(=O)c1c(C)noc1C
InChi: 1S/C18H22N2O4S/c1-10-14(11(2)24-20-10)16(21)19-17-15(18(22)23-3)12-8-6-4-5-7-9-13(12)25-17/h4-9H2,1-3H3,(H,19,21)
InChiKey: KEVOLNUSCLHXGD-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

methyl 2-[(3,5-dimethylisoxazole-4-carbonyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[d]thiophene-3-carboxylate
2-[[(3,5-dimethyl-4-isoxazolyl)-oxomethyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[d]thiophene-3-carboxylic acid methyl ester
2-[(3,5-dimethylisoxazole-4-carbonyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[d]thiophene-3-carboxylic acid methyl ester
methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)carbonylamino]-4,5,6,7,8,9-hexahydrocycloocta[d]thiophene-3-carboxylate
IVK/1206046
methyl 2-{[(3,5-dimethyl-4-isoxazolyl)carbonyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
ZINC01055897
MLS000051761
SMR000080713

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	hydroxyprostaglandin dehydrogenase 15-(NAD)	Starlite/ChEMBL	No references
Homo sapiens	lysine (K)-specific methyltransferase 2A	Starlite/ChEMBL	No references
Homo sapiens	hydroxysteroid (17-beta) dehydrogenase 10	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Leishmania infantum	3-oxoacyl-(acyl-carrier protein) reductase, putative	Get druggable targets OG5_129031	All targets in OG5_129031
Brugia malayi	3-hydroxyacyl-CoA dehydrogenase type II	Get druggable targets OG5_129031	All targets in OG5_129031
Schistosoma mansoni	mixed-lineage leukemia protein mll	Get druggable targets OG5_130642	All targets in OG5_130642
Echinococcus granulosus	3 hydroxyacyl coenzyme A dehydrogenase type 2	Get druggable targets OG5_129031	All targets in OG5_129031
Schistosoma mansoni	3-hydroxyacyl-CoA dehydrogenase	Get druggable targets OG5_129031	All targets in OG5_129031
Leishmania braziliensis	3-oxoacyl-(acyl-carrier protein) reductase, putative	Get druggable targets OG5_129031	All targets in OG5_129031
Echinococcus multilocularis	3 hydroxyacyl coenzyme A dehydrogenase type 2	Get druggable targets OG5_129031	All targets in OG5_129031
Schistosoma japonicum	ko:K00022 3-hydroxyacyl-CoA dehydrogenase [EC1.1.1.35], putative	Get druggable targets OG5_129031	All targets in OG5_129031
Cryptosporidium parvum	scully CG7113-PA, putative	Get druggable targets OG5_129031	All targets in OG5_129031
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	Get druggable targets OG5_129031	All targets in OG5_129031
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	Get druggable targets OG5_129031	All targets in OG5_129031
Leishmania donovani	3-oxoacyl-(acyl-carrier protein) reductase, putative	Get druggable targets OG5_129031	All targets in OG5_129031
Leishmania major	3-oxoacyl-(acyl-carrier protein) reductase, putative	Get druggable targets OG5_129031	All targets in OG5_129031
Neospora caninum	Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a	Get druggable targets OG5_130642	All targets in OG5_130642
Loa Loa (eye worm)	3-hydroxyacyl-CoA dehydrogenase type II	Get druggable targets OG5_129031	All targets in OG5_129031
Cryptosporidium hominis	scully CG7113-PA	Get druggable targets OG5_129031	All targets in OG5_129031
Toxoplasma gondii	histone lysine methyltransferase SET1	Get druggable targets OG5_130642	All targets in OG5_130642
Schistosoma japonicum	ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative	Get druggable targets OG5_130642	All targets in OG5_130642
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	Get druggable targets OG5_129031	All targets in OG5_129031
Leishmania mexicana	3-oxoacyl-(acyl-carrier protein) reductase, putative	Get druggable targets OG5_129031	All targets in OG5_129031

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Plasmodium falciparum	3-oxoacyl-[acyl-carrier-protein] reductase	hydroxysteroid (17-beta) dehydrogenase 10	252 aa	251 aa	24.7 %
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
Loa Loa (eye worm)	3-hydroxyacyl-CoA dehydrogenase type II	0.0065	0.8662	1
Giardia lamblia	Hypothetical protein	0.0009	0.0733	0.5
Onchocerca volvulus		0.0035	0.4369	1
Entamoeba histolytica	short chain dehydrogenase family protein	0.0009	0.0733	0.5
Trypanosoma cruzi	short chain dehydrogenase/reductase, putative	0.0009	0.0733	0.5
Trypanosoma brucei	short-chain dehydrogenase, putative	0.0009	0.0733	0.5
Entamoeba histolytica	estradiol 17-beta-dehydrogenase, putative	0.0009	0.0733	0.5
Trypanosoma cruzi	short-chain dehydrogenase, putative	0.0009	0.0733	0.5
Echinococcus granulosus	hypothetical protein	0.0009	0.0733	0.0109
Schistosoma mansoni	steroid dehydrogenase	0.0009	0.0733	0.0631
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0522	0.7124
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0009	0.0733	1
Trypanosoma brucei	beta-D-hydroxybutyrate dehydrogenase	0.0009	0.0733	0.5
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0009	0.0733	1
Trypanosoma brucei	3-keto-dihydrosphingosine reductase	0.0009	0.0733	0.5
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0009	0.0733	1
Echinococcus multilocularis	steroid dehydrogenase	0.0009	0.0733	0.0109
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0522	0.7124
Brugia malayi	CXXC zinc finger family protein	0.0035	0.4369	0.3924
Mycobacterium leprae	Possible short-chain dehydrogenase EphD	0.0009	0.0733	0.5
Schistosoma mansoni	steroid dehydrogenase	0.0009	0.0733	0.0631
Trypanosoma cruzi	NAD(P)-dependent oxidoreductase, putative	0.0009	0.0733	0.5
Entamoeba histolytica	hypothetical protein, conserved	0.0009	0.0733	0.5
Mycobacterium leprae	ROBABLE SHORT-CHAIN TYPE DEHYDROGENASE/REDUCTASE	0.0009	0.0733	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0009	0.0733	0.0631
Schistosoma mansoni	steroid dehydrogenase	0.0009	0.0733	0.0631
Echinococcus multilocularis	estradiol 17 beta dehydrogenase 12	0.0009	0.0733	0.0109
Schistosoma mansoni	short chain dehydrogenase	0.0009	0.0733	0.0631
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0522	0.7124
Trichomonas vaginalis	steroid dehydrogenase, putative	0.0009	0.0733	1
Schistosoma mansoni	cpg binding protein	0.0037	0.4653	0.4594
Echinococcus multilocularis	retinol dehydrogenase 11	0.0009	0.0733	0.0109
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0009	0.0733	1
Trypanosoma cruzi	short-chain dehydrogenase, putative	0.0009	0.0733	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0009	0.0733	0.0631
Trypanosoma brucei	short-chain dehydrogenase, putative	0.0009	0.0733	0.5
Leishmania major	3-oxoacyl-(acyl-carrier protein) reductase, putative	0.0074	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0522	0.7124
Trypanosoma brucei	oxidoreductase-like protein	0.0009	0.0733	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0522	0.7124
Echinococcus multilocularis	retinol dehydrogenase 11	0.0009	0.0733	0.0109
Schistosoma mansoni	short chain dehydrogenase	0.0009	0.0733	0.0631
Schistosoma mansoni	retinal dehydrogenase	0.0009	0.0733	0.0631
Brugia malayi	F/Y-rich N-terminus family protein	0.0011	0.0915	0.0196
Trypanosoma brucei	beta-ketoacyl-ACP reductase 2	0.0009	0.0733	0.5
Schistosoma mansoni	cpg binding protein	0.0035	0.4369	0.4308
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0066	0.8819	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0009	0.0733	0.5
Echinococcus granulosus	WW domain containing oxidoreductase	0.0009	0.0733	0.0109
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0522	0.7124
Echinococcus multilocularis	carbonyl reductase 1	0.0009	0.0733	0.0109
Trypanosoma cruzi	hypothetical protein, conserved	0.0009	0.0733	0.5
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0009	0.0631	0.0528
Schistosoma mansoni	carbonyl reductase	0.0009	0.0733	0.0631
Schistosoma mansoni	short chain dehydrogenase	0.0009	0.0733	0.0631
Trypanosoma cruzi	3-keto-dihydrosphingosine reductase	0.0009	0.0733	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0009	0.0733	0.5
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0074	0.9946	0.9945
Echinococcus multilocularis	carbonyl reductase 1	0.0009	0.0733	0.0109
Trypanosoma cruzi	beta-ketoacyl-ACP reductase 2, putative	0.0009	0.0733	0.5
Trypanosoma brucei	beta-ketoacyl-ACP reductase 3, putative	0.0009	0.0733	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0522	0.7124
Schistosoma mansoni	3-hydroxyacyl-CoA dehydrogenase	0.0074	1	1
Schistosoma mansoni	steroid dehydrogenase	0.0009	0.0733	0.0631
Trypanosoma cruzi	quinonoid dihydropteridine reductase, putative	0.0009	0.0733	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0009	0.0733	0.0631
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0011	0.0934	0.0324
Trichomonas vaginalis	helicase, putative	0.0008	0.0522	0.7124
Trypanosoma cruzi	3-keto-dihydrosphingosine reductase	0.0009	0.0733	0.5
Echinococcus multilocularis	carbonyl reductase 1	0.0009	0.0733	0.0109
Echinococcus granulosus	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0074	1	1
Trypanosoma cruzi	short chain dehydrogenase, putative	0.0009	0.0733	0.5
Plasmodium falciparum	oxidoreductase, short-chain dehydrogenase family, putative	0.0009	0.0733	0.5
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0011	0.0934	0.0324
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0008	0.0522	0.7124
Schistosoma mansoni	steroid dehydrogenase	0.0009	0.0733	0.0631
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0009	0.0733	0.5
Trypanosoma brucei	3-ketoacyl-CoA reductase, putative	0.0009	0.0733	0.5
Schistosoma mansoni	cpg binding protein	0.0037	0.4653	0.4594
Schistosoma mansoni	short chain dehydrogenase	0.0009	0.0733	0.0631
Echinococcus granulosus	carbonyl reductase 1	0.0009	0.0733	0.0109
Echinococcus granulosus	carbonyl reductase 1	0.0009	0.0733	0.0109
Entamoeba histolytica	hypothetical protein, conserved	0.0009	0.0733	0.5
Echinococcus multilocularis	oxidoreductase	0.0009	0.0733	0.0109
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0522	0.7124
Mycobacterium leprae	Probable short-chain type dehydrogenase/reductase	0.0009	0.0733	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0009	0.0733	0.0631
Trichomonas vaginalis	short-chain dehydrogenases/reductase, putative	0.0009	0.0733	1
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0522	0.7124
Echinococcus granulosus	epidermal retinal dehydrogenase 2	0.0009	0.0733	0.0109
Schistosoma mansoni	carbonyl reductase	0.0009	0.0733	0.0631
Trypanosoma cruzi	hypothetical protein, conserved	0.0009	0.0733	0.5
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0522	0.7124
Schistosoma mansoni	steroid dehydrogenase	0.0009	0.0733	0.0631
Echinococcus granulosus	cpg binding protein	0.0037	0.4653	0.4293
Plasmodium vivax	steroid dehydrogenase, putative	0.0009	0.0733	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0009	0.0733	0.0631
Echinococcus multilocularis	carbonyl reductase 1	0.0009	0.0733	0.0109
Echinococcus multilocularis	3 ketodihydrosphingosine reductase	0.0009	0.0733	0.0109
Echinococcus granulosus	Dehydrogenase:reductase SDR family	0.0009	0.0733	0.0109
Giardia lamblia	Oxidoreductase, short chain dehydrogenase/reductase family	0.0009	0.0733	0.5
Giardia lamblia	Short-chain dehydrogenase, putative	0.0009	0.0733	0.5
Entamoeba histolytica	estradiol 17-beta-dehydrogenase, putative	0.0009	0.0733	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0522	0.7124
Echinococcus granulosus	hypothetical protein	0.0009	0.0733	0.0109
Schistosoma mansoni	short chain dehydrogenase	0.0009	0.0733	0.0631
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0074	1	1
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0009	0.0733	1
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0009	0.0733	1
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0522	0.7124
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0074	1	1
Schistosoma mansoni	steroid dehydrogenase	0.0009	0.0733	0.0631
Mycobacterium leprae	Probable oxidoreductase	0.0009	0.0733	0.5
Echinococcus multilocularis	cpg binding protein	0.0037	0.4653	0.4293
Trypanosoma brucei	short-chain dehydrogenase, putative	0.0009	0.0733	0.5
Entamoeba histolytica	oxidoreductase, short chain dehydrogenase/reductase family	0.0009	0.0733	0.5
Plasmodium vivax	hypothetical protein, conserved	0.0009	0.0733	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0009	0.0733	0.0631
Trypanosoma cruzi	beta-ketoacyl-ACP reductase 2, putative	0.0009	0.0733	0.5
Entamoeba histolytica	hypothetical protein	0.0009	0.0733	0.5
Echinococcus multilocularis	steroid dehydrogenase	0.0009	0.0733	0.0109
Trypanosoma cruzi	oxidoreductase-like protein, putative	0.0009	0.0733	0.5
Echinococcus multilocularis	epidermal retinal dehydrogenase 2	0.0009	0.0733	0.0109
Echinococcus granulosus	retinol dehydrogenase 11	0.0009	0.0733	0.0109
Schistosoma mansoni	steroid dehydrogenase	0.0009	0.0733	0.0631
Echinococcus granulosus	steroid dehydrogenase	0.0009	0.0733	0.0109
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0009	0.0733	1
Schistosoma mansoni	short-chain dehydrogenase/reductase	0.0009	0.0733	0.0631
Trypanosoma cruzi	short chain dehydrogenase/reductase, putative	0.0009	0.0733	0.5
Schistosoma mansoni	steroid dehydrogenase	0.0009	0.0733	0.0631
Entamoeba histolytica	short chain dehydrogenase family protein	0.0009	0.0733	0.5
Trypanosoma cruzi	oxidoreductase-like protein, putative	0.0009	0.0733	0.5
Echinococcus multilocularis	retinol dehydrogenase 13	0.0009	0.0733	0.0109
Mycobacterium leprae	Probable short-chain type dehydrogenase/reductase	0.0009	0.0733	0.5
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0009	0.0733	1
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0522	0.7124
Wolbachia endosymbiont of Brugia malayi	Short-chain alcohol dehydrogenase family enzyme	0.0009	0.0733	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0009	0.0733	0.0631
Echinococcus granulosus	carbonyl reductase 1	0.0009	0.0733	0.0109
Trypanosoma cruzi	hypothetical protein, conserved	0.0009	0.0733	0.5
Trypanosoma cruzi	3-ketoacyl-CoA reductase, putative	0.0009	0.0733	0.5
Schistosoma mansoni	3-keto-dihydrosphingosine reductase	0.0009	0.0733	0.0631
Trypanosoma brucei	short-chain dehydrogenase, putative	0.0009	0.0733	0.5
Echinococcus granulosus	carbonyl reductase 1	0.0009	0.0733	0.0109
Schistosoma mansoni	oxidoreductase short chain dehydrogenase/reductase family	0.0009	0.0733	0.0631
Trypanosoma brucei	short-chain dehydrogenase, putative	0.0009	0.0733	0.5
Mycobacterium leprae	PROBABLE SHORT CHAIN ALCOHOL DEHYDROGENASE/REDUCTASE	0.0009	0.0733	0.5
Trypanosoma cruzi	short chain dehydrogenase, putative	0.0009	0.0733	0.5
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0074	1	1
Schistosoma mansoni	carbonyl reductase	0.0009	0.0733	0.0631
Entamoeba histolytica	3-ketodihydrosphingosine reductase protein, putative	0.0009	0.0733	0.5
Echinococcus multilocularis	transient receptor potential cation channel	0.0009	0.0733	0.0109
Plasmodium falciparum	steroid dehydrogenase, putative	0.0009	0.0733	0.5
Entamoeba histolytica	estradiol 17-beta-dehydrogenase, putative	0.0009	0.0733	0.5
Giardia lamblia	Reductase, putative	0.0009	0.0733	0.5
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0522	0.7124
Schistosoma mansoni	short chain dehydrogenase	0.0009	0.0733	0.0631
Echinococcus granulosus	retinol dehydrogenase 11	0.0009	0.0733	0.0109
Echinococcus multilocularis	Dehydrogenase:reductase SDR family	0.0009	0.0733	0.0109
Echinococcus multilocularis	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0074	1	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0009	0.0733	0.5
Echinococcus granulosus	oxidoreductase	0.0009	0.0733	0.0109
Schistosoma mansoni	short chain dehydrogenase	0.0009	0.0733	0.0631
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0035	0.4369	0.4586
Trypanosoma cruzi	3-ketoacyl-CoA reductase, putative	0.0009	0.0733	0.5
Echinococcus granulosus	3 ketodihydrosphingosine reductase	0.0009	0.0733	0.0109
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0522	0.7124
Schistosoma mansoni	steroid dehydrogenase	0.0009	0.0733	0.0631
Loa Loa (eye worm)	histone methyltransferase	0.0011	0.0934	0.0254
Trypanosoma cruzi	NAD(P)-dependent oxidoreductase, putative	0.0009	0.0733	0.5
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0008	0.0522	0.7124
Trichomonas vaginalis	estradiol 17 beta-dehydrogenase, putative	0.0009	0.0733	1
Schistosoma mansoni	short chain dehydrogenase	0.0009	0.0733	0.0631
Echinococcus multilocularis	conserved hypothetical protein	0.0009	0.0733	0.0109
Trichomonas vaginalis	hydroxyacyl dehydrogenase, putative	0.0009	0.0733	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.3696 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)	= 3.1623 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 3.9811 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HADH2 (Hydroxyacyl-Coenzyme A Dehydrogenase, Type II). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 8.9125 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)	= 14.1254 um	PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)]	ChEMBL.	No reference
Potency (functional)	= 35.4813 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory)	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	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: CHEMBL1555838

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1424214