TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 454.545 | Formula: C22H26N6O3S
H donors: 2 H acceptors: 5 LogP: 2.12 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CS(=O)(=O)Nc1cccc(c1)c1cc(NCCc2cccnc2)nc(n1)N1CCOCC1
InChi: 1S/C22H26N6O3S/c1-32(29,30)27-19-6-2-5-18(14-19)20-15-21(24-9-7-17-4-3-8-23-16-17)26-22(25-20)28-10-12-31-13-11-28/h2-6,8,14-16,27H,7,9-13H2,1H3,(H,24,25,26)
InChiKey: LENDSQVPCIFEKX-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	phosphatidylinositol-4,5-bisphosphate 3-kinase, catalytic subunit alpha	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Leishmania infantum	phosphatidylinositol 3-kinase 2, putative	Get druggable targets OG5_127444	All targets in OG5_127444
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	Get druggable targets OG5_127444	All targets in OG5_127444
Giardia lamblia	Phosphoinositide-3-kinase, catalytic, alpha polypeptide	Get druggable targets OG5_127444	All targets in OG5_127444
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	Get druggable targets OG5_127444	All targets in OG5_127444
Leishmania donovani	phosphatidylinositol 3-kinase 2, putative	Get druggable targets OG5_127444	All targets in OG5_127444
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	Get druggable targets OG5_127444	All targets in OG5_127444
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127444	All targets in OG5_127444
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	Get druggable targets OG5_127444	All targets in OG5_127444
Schistosoma japonicum	ko:K00922 phosphatidylinositol-4,5-bisphosphate 3-kinase [EC2.7.1.153], putative	Get druggable targets OG5_127444	All targets in OG5_127444
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	Get druggable targets OG5_127444	All targets in OG5_127444
Entamoeba histolytica	phosphatidylinositol 3-kinase 1, putative	Get druggable targets OG5_127444	All targets in OG5_127444
Loa Loa (eye worm)	phosphatidylinositol 3	Get druggable targets OG5_127444	All targets in OG5_127444
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	Get druggable targets OG5_127444	All targets in OG5_127444
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	Get druggable targets OG5_127444	All targets in OG5_127444
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	Get druggable targets OG5_127444	All targets in OG5_127444
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	Get druggable targets OG5_127444	All targets in OG5_127444
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	Get druggable targets OG5_127444	All targets in OG5_127444
Trichomonas vaginalis	phosphatidylinositol kinase, putative	Get druggable targets OG5_127444	All targets in OG5_127444
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	Get druggable targets OG5_127444	All targets in OG5_127444
Entamoeba histolytica	hypothetical protein	Get druggable targets OG5_127444	All targets in OG5_127444
Leishmania mexicana	phosphatidylinositol 3-kinase, putative	Get druggable targets OG5_127444	All targets in OG5_127444
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	Get druggable targets OG5_127444	All targets in OG5_127444

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	phosphatidylinositol-4,5-bisphosphate 3-kinase, catalytic subunit alpha	1068 aa	927 aa	29.0 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0044	0.0229	0.0594
Toxoplasma gondii	2,4-dienoyl CoA reductase 2, peroxisomal family protein	0.0044	0.0229	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0044	0.0229	0.5
Brugia malayi	phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative	0.0104	0.3159	0.8209
Loa Loa (eye worm)	hypothetical protein	0.012	0.3915	0.4977
Schistosoma mansoni	retinal dehydrogenase	0.0044	0.0229	0.0229
Giardia lamblia	Phosphoinositide-3-kinase, catalytic, alpha polypeptide	0.0057	0.0856	1
Plasmodium falciparum	steroid dehydrogenase, putative	0.0044	0.0229	0.5
Trypanosoma cruzi	short chain dehydrogenase/reductase, putative	0.0044	0.0229	0.0594
Trypanosoma cruzi	hypothetical protein, conserved	0.0044	0.0229	0.0594
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0044	0.0229	0.0594
Brugia malayi	dehydrogenases, short chain protein 2	0.0044	0.0229	0.0594
Trypanosoma cruzi	3-ketoacyl-CoA reductase, putative	0.0044	0.0229	0.0594
Trypanosoma cruzi	quinonoid dihydropteridine reductase, putative	0.0044	0.0229	0.0594
Trypanosoma cruzi	NAD(P)-dependent oxidoreductase, putative	0.0044	0.0229	0.0594
Plasmodium falciparum	oxidoreductase, short-chain dehydrogenase family, putative	0.0044	0.0229	0.5
Leishmania major	hypothetical protein, conserved	0.0044	0.0229	0.5
Schistosoma mansoni	steroid dehydrogenase	0.0044	0.0229	0.0229
Mycobacterium ulcerans	short chain dehydrogenase	0.0044	0.0229	0.5
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0229	0.0164
Schistosoma mansoni	3-hydroxyacyl-CoA dehydrogenase	0.0044	0.0229	0.0229
Trypanosoma cruzi	NAD(P)-dependent oxidoreductase, putative	0.0044	0.0229	0.0594
Schistosoma mansoni	short chain dehydrogenase	0.0044	0.0229	0.0229
Brugia malayi	hypothetical protein	0.0044	0.0229	0.0594
Toxoplasma gondii	3-ketoacyl-CoA reductase, putative	0.0044	0.0229	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0044	0.0229	0.0594
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0118	0.3849	1
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0044	0.0229	0.5
Mycobacterium leprae	ROBABLE SHORT-CHAIN TYPE DEHYDROGENASE/REDUCTASE	0.0044	0.0229	0.5
Mycobacterium leprae	PROBABLE SHORT CHAIN ALCOHOL DEHYDROGENASE/REDUCTASE	0.0044	0.0229	0.5
Leishmania major	short chain dehydrogenase, putative	0.0044	0.0229	0.5
Trypanosoma cruzi	short chain dehydrogenase, putative	0.0044	0.0229	0.0594
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0044	0.0229	0.0594
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0044	0.0229	0.0594
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0229	0.0164
Brugia malayi	D-beta-hydroxybutyrate dehydrogenase, mitochondrial precursor	0.0044	0.0229	0.0594
Leishmania major	dehydrogenase-like protein	0.0044	0.0229	0.5
Mycobacterium ulcerans	short-chain type oxidoreductase	0.0044	0.0229	0.5
Mycobacterium tuberculosis	Probable oxidoreductase	0.0044	0.0229	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0044	0.0229	0.0229
Loa Loa (eye worm)	dehydrogenase	0.0044	0.0229	0.0164
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0229	0.0164
Mycobacterium ulcerans	short chain dehydrogenase	0.0044	0.0229	0.5
Leishmania major	quinonoid dihydropteridine reductase	0.0044	0.0229	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0044	0.0229	0.5
Trypanosoma brucei	beta-ketoacyl-ACP reductase 2	0.0044	0.0229	1
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0044	0.0229	0.0594
Loa Loa (eye worm)	hypothetical protein	0.0098	0.2851	0.3588
Leishmania major	hypothetical protein, conserved	0.0044	0.0229	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0044	0.0229	0.0229
Mycobacterium ulcerans	short chain dehydrogenase	0.0044	0.0229	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0044	0.0229	0.0594
Loa Loa (eye worm)	oxidoreductase	0.0044	0.0229	0.0164
Schistosoma mansoni	hypothetical protein	0.0244	1	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0044	0.0229	0.0594
Leishmania major	oxidoreductase-like protein	0.0044	0.0229	0.5
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0222	0.8943	0.8943
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0044	0.0229	0.5
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0044	0.0229	0.0594
Mycobacterium ulcerans	short chain dehydrogenase	0.0044	0.0229	0.5
Mycobacterium tuberculosis	Probable short-chain type oxidoreductase	0.0044	0.0229	0.5
Trichomonas vaginalis	hydroxyacyl dehydrogenase, putative	0.0044	0.0229	0.0594
Mycobacterium tuberculosis	Possible iron-regulated short-chain dehydrogenase/reductase	0.0044	0.0229	0.5
Trypanosoma brucei	beta-ketoacyl-ACP reductase 3, putative	0.0044	0.0229	1
Mycobacterium tuberculosis	Probable dehydrogenase/reductase	0.0044	0.0229	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0044	0.0229	0.0594
Toxoplasma gondii	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0044	0.0229	0.5
Trypanosoma cruzi	oxidoreductase-like protein, putative	0.0044	0.0229	0.0594
Mycobacterium ulcerans	short chain dehydrogenase	0.0044	0.0229	0.5
Mycobacterium tuberculosis	Probable oxidoreductase	0.0044	0.0229	0.5
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0044	0.0229	0.5
Entamoeba histolytica	hypothetical protein, conserved	0.0044	0.0229	0.0594
Schistosoma mansoni	carbonyl reductase	0.0044	0.0229	0.0229
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0044	0.0229	0.0594
Mycobacterium tuberculosis	Probable short-chain dehydrogenase/reductase	0.0044	0.0229	0.5
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0044	0.0229	0.5
Brugia malayi	Dehydrogenases, short chain protein 30	0.0044	0.0229	0.0594
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0044	0.0229	0.0594
Mycobacterium ulcerans	oxidoreductase	0.0044	0.0229	0.5
Schistosoma mansoni	steroid dehydrogenase	0.0044	0.0229	0.0229
Loa Loa (eye worm)	oxidoreductase	0.0044	0.0229	0.0164
Mycobacterium ulcerans	short chain dehydrogenase	0.0044	0.0229	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0044	0.0229	0.0229
Trypanosoma brucei	short-chain dehydrogenase, putative	0.0044	0.0229	1
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0044	0.0229	0.0594
Echinococcus multilocularis	cdgsh iron sulfur domain containing protein	0.023	0.9321	1
Trypanosoma cruzi	short chain dehydrogenase, putative	0.0044	0.0229	0.0594
Loa Loa (eye worm)	dehydrogenase	0.0044	0.0229	0.0164
Mycobacterium ulcerans	short chain dehydrogenase	0.0044	0.0229	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0044	0.0229	0.0594
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0044	0.0229	0.5
Trypanosoma brucei	3-ketoacyl-CoA reductase, putative	0.0044	0.0229	1
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0044	0.0229	0.0594
Echinococcus granulosus	cdgsh iron sulfur domain containing protein	0.023	0.9321	1
Leishmania major	pteridine reductase 1	0.0044	0.0229	0.5
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0229	0.0164
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0044	0.0229	0.0594
Echinococcus granulosus	biogenic amine 5HT receptor	0.012	0.3915	0.4054
Mycobacterium ulcerans	ketoacyl reductase	0.0044	0.0229	0.5
Leishmania major	3-oxoacyl-(acyl-carrier protein) reductase, putative	0.0044	0.0229	0.5
Loa Loa (eye worm)	oxidoreductase	0.0044	0.0229	0.0164
Toxoplasma gondii	oxidoreductase, putative	0.0044	0.0229	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0044	0.0229	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0044	0.0229	0.5
Loa Loa (eye worm)	oxidoreductase	0.0044	0.0229	0.0164
Entamoeba histolytica	estradiol 17-beta-dehydrogenase, putative	0.0044	0.0229	0.0594
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0094	0.2668	0.6931
Mycobacterium tuberculosis	Possible oxidoreductase	0.0044	0.0229	0.5
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0118	0.3849	1
Mycobacterium tuberculosis	Probable oxidoreductase	0.0044	0.0229	0.5
Schistosoma mansoni	carbonyl reductase	0.0044	0.0229	0.0229
Entamoeba histolytica	estradiol 17-beta-dehydrogenase, putative	0.0044	0.0229	0.0594
Loa Loa (eye worm)	hypothetical protein	0.0077	0.1811	0.223
Trypanosoma brucei	3-keto-dihydrosphingosine reductase	0.0044	0.0229	1
Toxoplasma gondii	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0044	0.0229	0.5
Leishmania major	quinonoid dihydropteridine reductase	0.0044	0.0229	0.5
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0229	0.0164
Toxoplasma gondii	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0044	0.0229	0.5
Schistosoma mansoni	steroid dehydrogenase	0.0044	0.0229	0.0229
Plasmodium vivax	hypothetical protein, conserved	0.0044	0.0229	0.5
Schistosoma mansoni	3-keto-dihydrosphingosine reductase	0.0044	0.0229	0.0229
Mycobacterium tuberculosis	Probable dehydrogenase/reductase	0.0044	0.0229	0.5
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0118	0.3849	1
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0044	0.0229	0.0594
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0044	0.0229	0.5
Mycobacterium tuberculosis	Possible oxidoreductase	0.0044	0.0229	0.5
Trypanosoma brucei	short-chain dehydrogenase, putative	0.0044	0.0229	1
Leishmania major	3-keto-dihydrosphingosine reductase	0.0044	0.0229	0.5
Mycobacterium ulcerans	ketoacyl reductase	0.0044	0.0229	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0044	0.0229	0.0229
Mycobacterium tuberculosis	Decaprenylphosphoryl-D-2-keto erythro pentose reductase	0.0044	0.0229	0.5
Trypanosoma cruzi	short chain dehydrogenase/reductase, putative	0.0044	0.0229	0.0594
Echinococcus multilocularis	phosphatidylinositol 4 phosphate 3 kinase C2	0.0077	0.1811	0.174
Mycobacterium ulcerans	short chain dehydrogenase	0.0044	0.0229	0.5
Leishmania major	quinonoid dihydropteridine reductase	0.0044	0.0229	0.5
Loa Loa (eye worm)	oxidoreductase	0.0044	0.0229	0.0164
Mycobacterium ulcerans	short chain dehydrogenase	0.0044	0.0229	0.5
Leishmania major	short chain dehydrogenase, putative	0.0044	0.0229	0.5
Entamoeba histolytica	3-ketodihydrosphingosine reductase protein, putative	0.0044	0.0229	0.0594
Leishmania major	quinonoid dihydropteridine reductase	0.0044	0.0229	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0044	0.0229	0.0594
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0044	0.0229	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0044	0.0229	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0044	0.0229	0.0229
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0229	0.0164
Leishmania major	short chain dehydrogenase/reductase, putative	0.0044	0.0229	0.5
Brugia malayi	Hypothetical oxidoreductase F56D1.5	0.0044	0.0229	0.0594
Trypanosoma cruzi	3-ketoacyl-CoA reductase, putative	0.0044	0.0229	0.0594
Mycobacterium tuberculosis	Possible fatty acyl-CoA reductase	0.0044	0.0229	0.5
Trichomonas vaginalis	steroid dehydrogenase, putative	0.0044	0.0229	0.0594
Leishmania major	quinonoid dihydropteridine reductase	0.0044	0.0229	0.5
Schistosoma mansoni	steroid dehydrogenase	0.0044	0.0229	0.0229
Schistosoma mansoni	oxidoreductase short chain dehydrogenase/reductase family	0.0044	0.0229	0.0229
Trypanosoma brucei	oxidoreductase-like protein	0.0044	0.0229	1
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0044	0.0229	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0044	0.0229	0.0229
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	0.0222	0.8943	0.9584
Trypanosoma brucei	short-chain dehydrogenase, putative	0.0044	0.0229	1
Wolbachia endosymbiont of Brugia malayi	Short-chain alcohol dehydrogenase family enzyme	0.0044	0.0229	0.5
Trypanosoma cruzi	3-keto-dihydrosphingosine reductase	0.0044	0.0229	0.0594
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0044	0.0229	0.0594
Plasmodium vivax	steroid dehydrogenase, putative	0.0044	0.0229	0.5
Trypanosoma brucei	short-chain dehydrogenase, putative	0.0044	0.0229	1
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0118	0.3849	1
Mycobacterium ulcerans	short-chain dehydrogenase	0.0044	0.0229	0.5
Mycobacterium leprae	Probable short-chain type dehydrogenase/reductase	0.0044	0.0229	0.5
Schistosoma mansoni	steroid dehydrogenase	0.0044	0.0229	0.0229
Trypanosoma cruzi	short-chain dehydrogenase, putative	0.0044	0.0229	0.0594
Schistosoma mansoni	steroid dehydrogenase	0.0044	0.0229	0.0229
Entamoeba histolytica	oxidoreductase, short chain dehydrogenase/reductase family	0.0044	0.0229	0.0594
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0052	0.063	0.1637
Schistosoma mansoni	steroid dehydrogenase	0.0044	0.0229	0.0229
Schistosoma mansoni	short chain dehydrogenase	0.0044	0.0229	0.0229
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0081	0.2038	0.5294
Schistosoma mansoni	short chain dehydrogenase	0.0044	0.0229	0.0229
Mycobacterium ulcerans	carveol-like dehydrogenase	0.0044	0.0229	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0044	0.0229	0.0229
Trypanosoma cruzi	hypothetical protein, conserved	0.0044	0.0229	0.0594
Mycobacterium leprae	Possible short-chain dehydrogenase EphD	0.0044	0.0229	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0044	0.0229	0.5
Leishmania major	quinonoid dihydropteridine reductase	0.0044	0.0229	0.5
Echinococcus multilocularis	serotonin receptor	0.012	0.3915	0.4054
Mycobacterium ulcerans	short chain dehydrogenase	0.0044	0.0229	0.5
Mycobacterium tuberculosis	Probable dehydrogenase	0.0044	0.0229	0.5
Mycobacterium ulcerans	short-chain membrane-associated dehydrogenase	0.0044	0.0229	0.5
Echinococcus multilocularis	serotonin receptor	0.012	0.3915	0.4054
Mycobacterium ulcerans	ketoacyl reductase	0.0044	0.0229	0.5
Leishmania major	hypothetical protein, conserved	0.0044	0.0229	0.5
Schistosoma mansoni	carbonyl reductase	0.0044	0.0229	0.0229
Mycobacterium ulcerans	3-ketoacyl-ACP reductase	0.0044	0.0229	0.5
Mycobacterium ulcerans	short-chain dehydrogenase	0.0044	0.0229	0.5
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0229	0.0164
Loa Loa (eye worm)	hypothetical protein	0.012	0.3915	0.4977
Trypanosoma cruzi	hypothetical protein, conserved	0.0044	0.0229	0.0594
Mycobacterium leprae	Probable oxidoreductase	0.0044	0.0229	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0044	0.0229	0.5
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0229	0.0164
Onchocerca volvulus		0.0098	0.2851	1
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0044	0.0229	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0044	0.0229	0.0229
Loa Loa (eye worm)	oxidoreductase	0.0044	0.0229	0.0164
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0044	0.0229	0.0594
Trichomonas vaginalis	short-chain dehydrogenases/reductase, putative	0.0044	0.0229	0.0594
Schistosoma mansoni	short chain dehydrogenase	0.0044	0.0229	0.0229
Toxoplasma gondii	carbonyl reductase 1, putative	0.0044	0.0229	0.5
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0044	0.0229	0.5
Mycobacterium ulcerans	oxidoreductase	0.0044	0.0229	0.5
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0229	0.0164
Mycobacterium ulcerans	dehydrogenase/decarboxylase protein	0.0044	0.0229	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0044	0.0229	0.0229
Schistosoma mansoni	steroid dehydrogenase	0.0044	0.0229	0.0229
Trypanosoma cruzi	beta-ketoacyl-ACP reductase 2, putative	0.0044	0.0229	0.0594
Leishmania major	short chain dehydrogenase-like protein	0.0044	0.0229	0.5
Schistosoma mansoni	steroid dehydrogenase	0.0044	0.0229	0.0229
Trypanosoma cruzi	beta-ketoacyl-ACP reductase 2, putative	0.0044	0.0229	0.0594
Mycobacterium ulcerans	short chain dehydrogenase	0.0044	0.0229	0.5
Brugia malayi	Dehydrogenases, short chain protein 2	0.0044	0.0229	0.0594
Mycobacterium tuberculosis	Probable oxidoreductase	0.0044	0.0229	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0044	0.0229	0.0229
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.0222	0.8943	0.9584
Mycobacterium ulcerans	short chain dehydrogenase	0.0044	0.0229	0.5
Entamoeba histolytica	hypothetical protein, conserved	0.0044	0.0229	0.0594
Entamoeba histolytica	phosphatidylinositol 3-kinase 1, putative	0.0115	0.3678	0.9555
Schistosoma mansoni	short-chain dehydrogenase/reductase	0.0044	0.0229	0.0229
Mycobacterium ulcerans	short chain dehydrogenase	0.0044	0.0229	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0044	0.0229	0.0594
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0044	0.0229	0.5
Entamoeba histolytica	hypothetical protein	0.0094	0.2668	0.6931
Brugia malayi	Uncharacterized hematopoietic stem/progenitor cells protein MDS029	0.0098	0.2851	0.7408
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0044	0.0229	0.0594
Mycobacterium ulcerans	short chain dehydrogenase	0.0044	0.0229	0.5
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0118	0.3849	1
Entamoeba histolytica	hypothetical protein	0.0044	0.0229	0.0594
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0044	0.0229	0.5
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0044	0.0229	0.5
Mycobacterium ulcerans	3-alpha-hydroxysteroid dehydrogenase	0.0044	0.0229	0.5
Mycobacterium ulcerans	dehydrogenase/reductase	0.0044	0.0229	0.5
Trypanosoma brucei	beta-D-hydroxybutyrate dehydrogenase	0.0044	0.0229	1
Toxoplasma gondii	oxidoreductase, putative	0.0044	0.0229	0.5
Toxoplasma gondii	sterol carrier protein-2 HAD-2SCP-2	0.0044	0.0229	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0044	0.0229	0.0594
Mycobacterium ulcerans	dehydrogenase	0.0044	0.0229	0.5
Mycobacterium leprae	Probable short-chain type dehydrogenase/reductase	0.0044	0.0229	0.5
Mycobacterium tuberculosis	Possible short-chain dehydrogenase EphD	0.0044	0.0229	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0044	0.0229	0.5
Toxoplasma gondii	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0044	0.0229	0.5
Toxoplasma gondii	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0044	0.0229	0.5
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0044	0.0229	0.5
Entamoeba histolytica	short chain dehydrogenase family protein	0.0044	0.0229	0.0594
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0081	0.2038	0.5294
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0044	0.0229	0.0594
Mycobacterium ulcerans	short-chain dehydrogenase	0.0044	0.0229	0.5
Echinococcus granulosus	phosphatidylinositol 4 phosphate 3 kinase C2	0.0077	0.1811	0.174
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0118	0.3849	1
Leishmania major	short chain dehydrogenase/reductase, putative	0.0044	0.0229	0.5
Trypanosoma brucei	short-chain dehydrogenase, putative	0.0044	0.0229	1
Mycobacterium ulcerans	short chain dehydrogenase	0.0044	0.0229	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0044	0.0229	0.5
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0229	0.0164
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0044	0.0229	0.0594
Loa Loa (eye worm)	oxidoreductase	0.0044	0.0229	0.0164
Mycobacterium tuberculosis	Possible multi-functional enzyme with acyl-CoA-reductase activity AcrA1	0.0044	0.0229	0.5
Mycobacterium tuberculosis	Probable oxidoreductase	0.0044	0.0229	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0044	0.0229	0.0594
Trypanosoma cruzi	short-chain dehydrogenase, putative	0.0044	0.0229	0.0594
Loa Loa (eye worm)	oxidoreductase	0.0044	0.0229	0.0164
Trypanosoma cruzi	oxidoreductase-like protein, putative	0.0044	0.0229	0.0594
Brugia malayi	oxidoreductase	0.0044	0.0229	0.0594
Brugia malayi	Retinol dehydrogenase 12	0.0044	0.0229	0.0594
Mycobacterium tuberculosis	Probable short chain alcohol dehydrogenase/reductase	0.0044	0.0229	0.5
Brugia malayi	3-hydroxyacyl-CoA dehydrogenase type II	0.0044	0.0229	0.0594
Mycobacterium tuberculosis	Probable oxidoreductase	0.0044	0.0229	0.5
Loa Loa (eye worm)	short chain dehydrogenase/reductase family oxidoreductase	0.0044	0.0229	0.0164
Leishmania major	quinonoid dihydropteridine reductase	0.0044	0.0229	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0044	0.0229	0.0594
Mycobacterium tuberculosis	Possible ketoacyl reductase	0.0044	0.0229	0.5
Trichomonas vaginalis	estradiol 17 beta-dehydrogenase, putative	0.0044	0.0229	0.0594
Trypanosoma cruzi	3-keto-dihydrosphingosine reductase	0.0044	0.0229	0.0594
Mycobacterium ulcerans	short chain dehydrogenase	0.0044	0.0229	0.5
Brugia malayi	hypothetical protein	0.0044	0.0229	0.0594
Leishmania major	hypothetical protein, conserved	0.0044	0.0229	0.5
Loa Loa (eye worm)	phosphatidylinositol 3	0.0198	0.7762	1
Brugia malayi	dehydrogenases, short chain protein 9	0.0044	0.0229	0.0594
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.0118	0.3849	1
Schistosoma mansoni	steroid dehydrogenase	0.0044	0.0229	0.0229
Loa Loa (eye worm)	oxidoreductase	0.0044	0.0229	0.0164
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0077	0.1811	0.4706
Schistosoma mansoni	biogenic amine (5HT) receptor	0.012	0.3915	0.3915
Leishmania major	hypothetical protein, conserved	0.0044	0.0229	0.5
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0229	0.0164
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0044	0.0229	0.0594
Schistosoma mansoni	short chain dehydrogenase	0.0044	0.0229	0.0229
Entamoeba histolytica	short chain dehydrogenase family protein	0.0044	0.0229	0.0594
Mycobacterium tuberculosis	Probable shortchain dehydrogenase	0.0044	0.0229	0.5
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0044	0.0229	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0044	0.0229	0.5
Entamoeba histolytica	estradiol 17-beta-dehydrogenase, putative	0.0044	0.0229	0.0594
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0044	0.0229	0.0594
Mycobacterium ulcerans	short-chain dehydrogenase	0.0044	0.0229	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
GI50 (functional)	= 11.6 uM	Cytotoxicity against human IGROV1 cells after 96 hrs by SRB assay	ChEMBL.	21216151
IC50 (binding)	> 10 uM	Inhibition of human recombinant PI3K p110alpha after 1 hr by radiometric scintillation proximity assay	ChEMBL.	21216151

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: CHEMBL1644580

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1467129