TDR Targets

Basic information

Technical information

TDR Targets ID: 1433687
Name: 2-(3-methoxyphenyl)-N-(oxolan-2-ylmethyl)-2-[ oxolan-2-ylmethyl-[2-(1,1,3-trioxo-1,2-benzot hiazol-2-yl)acetyl]amino]acetamide
MW: 571.642 | Formula: C28H33N3O8S
H donors: 1 H acceptors: 5 LogP: 1.94 Rotable bonds: 12
Rule of 5 violations (Lipinski): 2
SMILES: COc1cccc(c1)C(N(C(=O)CN1C(=O)c2c(S1(=O)=O)cccc2)CC1CCCO1)C(=O)NCC1CCCO1
InChi: 1S/C28H33N3O8S/c1-37-20-8-4-7-19(15-20)26(27(33)29-16-21-9-5-13-38-21)30(17-22-10-6-14-39-22)25(32)18-31-28(34)23-11-2-3-12-24(23)40(31,35)36/h2-4,7-8,11-12,15,21-22,26H,5-6,9-10,13-14,16-18H2,1H3,(H,29,33)
InChiKey: UAUWJXZXZBNZOI-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

2-(3-methoxyphenyl)-N-(tetrahydrofuran-2-ylmethyl)-2-[tetrahydrofuran-2-ylmethyl-[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetyl]amino]acetamide
2-(3-methoxyphenyl)-2-[[1-oxo-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl]-(2-tetrahydrofuranylmethyl)amino]-N-(2-tetrahydrofuranylmethyl)acetamide
2-(3-methoxyphenyl)-N-(tetrahydrofurfuryl)-2-[tetrahydrofurfuryl-[2-(1,1,3-triketo-1,2-benzothiazol-2-yl)acetyl]amino]acetamide
2-(3-methoxyphenyl)-N-(oxolan-2-ylmethyl)-2-[oxolan-2-ylmethyl-[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethanoyl]amino]ethanamide
Oprea1_357794
ASN 04935746
MLS000714380
SMR000274360

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	aldehyde dehydrogenase 1 family, member A1	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	Aldehyde dehydrogenase X, mitochondrial precursor, putative	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma mansoni	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma japonicum	ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative	Get druggable targets OG5_126638	All targets in OG5_126638
Leishmania mexicana	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma japonicum	Retinal dehydrogenase 1, putative	Get druggable targets OG5_126638	All targets in OG5_126638
Candida albicans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Leishmania donovani	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	Get druggable targets OG5_126638	All targets in OG5_126638
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Leishmania braziliensis	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Candida albicans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Neospora caninum	hypothetical protein	Get druggable targets OG5_126638	All targets in OG5_126638
Mycobacterium ulcerans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Mycobacterium ulcerans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Candida albicans	Mitochondrial aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Mycobacterium ulcerans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Toxoplasma gondii	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Candida albicans	Mitochondrial aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma mansoni	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma japonicum	Aldehyde dehydrogenase, mitochondrial precursor, putative	Get druggable targets OG5_126638	All targets in OG5_126638
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	Get druggable targets OG5_126638	All targets in OG5_126638
Leishmania infantum	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Mycobacterium tuberculosis	Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1	aldehyde dehydrogenase 1 family, member A1	501 aa	456 aa	33.3 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	phosphatidylinositol 3	0.0232	0.2992	0.2965
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0414	0.5757	0.5757
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0232	0.2992	0.2895
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0232	0.2992	0.2965
Schistosoma mansoni	immunophilin FK506 binding protein FKBP12	0.0055	0.0287	0.0197
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0693	1	1
Loa Loa (eye worm)	hypothetical protein	0.0131	0.1451	0.1418
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase, putative	0.0055	0.0287	0.0152
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.0045	0.0137	0.0099
Leishmania major	fk506-binding protein 1-like protein	0.0055	0.0287	0.0152
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0073	0.0573	1
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0693	1	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0045	0.0137	0.0099
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.0146	0.1679	0.2153
Schistosoma mansoni	hypothetical protein	0.0045	0.0137	0.0046
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0232	0.2992	0.2895
Trichomonas vaginalis	peptidylprolyl isomerase, putative	0.0055	0.0287	0.0287
Trypanosoma brucei	peptidyl-prolyl cis-trans isomerase, putative	0.0055	0.0287	0.0152
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0232	0.2992	0.2895
Echinococcus granulosus	PIK kinase FAT and Armadillo domain containing protein	0.0101	0.0998	0.0964
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0131	0.1451	0.1451
Trypanosoma cruzi	target of rapamycin kinase 3	0.0551	0.7851	0.7822
Echinococcus multilocularis	Phosphatidylinositol 4 kinase type 2 beta	0.0045	0.0137	0.0099
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0232	0.2992	0.2992
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0693	1	1
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.0131	0.1451	0.1332
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0232	0.2992	0.2895
Echinococcus granulosus	phosphatidylinositol 4 kinase alpha	0.0045	0.0137	0.0099
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0374	0.515	0.515
Trichomonas vaginalis	phosphatidylinositol 4-kinase, putative	0.0045	0.0137	0.0137
Trypanosoma cruzi	cytochrome P450, putative	0.0074	0.0588	0.0457
Echinococcus granulosus	serine protein kinase ATM	0.0131	0.1451	0.1418
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0693	1	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.0573	0.9505
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0515	0.7298	0.7298
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0045	0.0137	0.0099
Plasmodium falciparum	peptidyl-prolyl cis-trans isomerase FKBP35	0.0055	0.0287	1
Schistosoma mansoni	phosphatidylinositol 4-kinase type-II	0.0045	0.0137	0.0046
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0045	0.0137	0.0137
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0131	0.1451	0.1451
Loa Loa (eye worm)	phosphatidylinositol 4-kinase type 3 alpha isoform 1	0.0045	0.0137	0.0099
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0045	0.0137	0.0137
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0551	0.7843	0.7843
Trypanosoma brucei	cytochrome P450, putative	0.0074	0.0588	0.0457
Entamoeba histolytica	peptidyl-prolyl cis-trans isomerase, FKBP-type , putative	0.0055	0.0287	0.0152
Echinococcus granulosus	serine:threonine protein kinase SMG1	0.0131	0.1451	0.1418
Onchocerca volvulus		0.0045	0.0137	0.5
Loa Loa (eye worm)	hypothetical protein	0.0086	0.077	0.0735
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0414	0.5757	0.5757
Loa Loa (eye worm)	hypothetical protein	0.0101	0.0998	0.0964
Brugia malayi	FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59	0.0055	0.0287	0.025
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0551	0.7843	0.7843
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.0573	0.9505
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0045	0.0137	0.0099
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.0045	0.0137	0.0046
Trichomonas vaginalis	PIKK family atypical protein kinase	0.041	0.5694	0.5694
Leishmania major	peptidylprolyl isomerase-like protein	0.0055	0.0287	0.0152
Brugia malayi	Cytochrome P450 family protein	0.0074	0.0588	0.0551
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.0573	0.9505
Brugia malayi	phosphatidylinositol 4-kinase, catalytic, alpha polypeptide	0.0045	0.0137	0.0099
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0373	0.5141	0.5141
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0551	0.7851	0.7822
Mycobacterium leprae	conserved hypothetical protein	0.0045	0.0137	0.5
Trichomonas vaginalis	immunophilin, putative	0.0055	0.0287	0.0287
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0328	0.4443	0.4366
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0073	0.0573	0.0537
Loa Loa (eye worm)	phosphatidylinositol 3	0.0045	0.0137	0.0099
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0073	0.0573	0.0442
Brugia malayi	FKBP-type peptidyl-prolyl cis-trans isomerase-12, BmFKBP-12	0.0055	0.0287	0.025
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0232	0.2992	0.2965
Loa Loa (eye worm)	phosphatidylinositol 3	0.0693	1	1
Schistosoma mansoni	immunophilin	0.0055	0.0287	0.0197
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0173	0.0135
Echinococcus multilocularis	peptidyl prolyl cis trans isomerase FKBP4	0.0055	0.0287	0.025
Echinococcus granulosus	Phosphatidylinositol 4 kinase type 2 beta	0.0045	0.0137	0.0099
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0591	0.8458	0.8458
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.0045	0.0137	0.0137
Toxoplasma gondii	FATC domain-containing protein	0.0131	0.1451	0.1835
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0232	0.2992	0.2928
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0045	0.0137	0.0137
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0262	0.0225
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0374	0.515	0.515
Loa Loa (eye worm)	FKBP5 protein	0.0055	0.0287	0.025
Trichomonas vaginalis	conserved hypothetical protein	0.0101	0.0998	0.0998
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0551	0.7843	0.7843
Entamoeba histolytica	protein kinase rad3, putative	0.0131	0.1451	0.1332
Echinococcus multilocularis		0.0045	0.0137	0.0099
Echinococcus multilocularis	serine:threonine protein kinase SMG1	0.0131	0.1451	0.1418
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0137	0.0099
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0693	1	1
Trypanosoma cruzi	FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative	0.0055	0.0287	0.0152
Echinococcus multilocularis	phosphatidylinositol 4 phosphate 3 kinase C2	0.0045	0.0137	0.0099
Trichomonas vaginalis	peptidylprolyl isomerase, putative	0.0055	0.0287	0.0287
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0374	0.515	0.515
Brugia malayi	Cytochrome P450 family protein	0.0074	0.0588	0.0551
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0515	0.7298	1
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0086	0.077	0.0642
Trichomonas vaginalis	PIKK family atypical protein kinase	0.045	0.6301	0.6301
Loa Loa (eye worm)	cytochrome P450 family protein	0.0074	0.0588	0.0551
Loa Loa (eye worm)	hypothetical protein	0.0141	0.1605	0.1573
Loa Loa (eye worm)	phosphatidylinositol 3	0.0045	0.0137	0.0099
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0045	0.0137	0.0046
Echinococcus granulosus	peptidyl prolyl cis trans isomerase FKBP4	0.0047	0.0173	0.0135
Schistosoma mansoni	aldehyde dehydrogenase	0.0073	0.0573	0.0485
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.0232	0.2992	0.2895
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0045	0.0137	0.0137
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0045	0.0137	0.0137
Trichomonas vaginalis	PIKK family atypical protein kinase	0.041	0.5694	0.5694
Giardia lamblia	70 kDa peptidylprolyl isomerase, putative	0.0055	0.0287	0.0152
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0186	0.2285	0.2285
Echinococcus granulosus	peptidyl prolyl cis trans isomerase FKBP4	0.0055	0.0287	0.025
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0693	1	1
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0232	0.2992	0.2965
Trichomonas vaginalis	fk506-binding protein, putative	0.0055	0.0287	0.0287
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0131	0.1451	0.1332
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0693	1	1
Onchocerca volvulus		0.0045	0.0137	0.5
Echinococcus multilocularis	fk506 binding protein	0.0055	0.0287	0.025
Schistosoma mansoni	immunophilin	0.0047	0.0173	0.0082
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0693	1	1
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0073	0.0573	0.0537
Loa Loa (eye worm)	phosphatidylinositol 3	0.0045	0.0137	0.0099
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0288	0.3836	0.375
Brugia malayi	FAT domain containing protein	0.0101	0.0998	0.0964
Trypanosoma brucei	FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative	0.0055	0.0287	0.0152
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0131	0.1451	0.1418
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0232	0.2992	0.2992
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	0.0045	0.0137	0.0099
Trichomonas vaginalis	conserved hypothetical protein	0.0086	0.077	0.077
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase, putative	0.0055	0.0287	0.0152
Echinococcus multilocularis	Zinc finger, PHD finger	0.0045	0.0137	0.0099
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0693	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0232	0.2992	0.2992
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0515	0.7298	0.7298
Echinococcus multilocularis	serine protein kinase ATM	0.0131	0.1451	0.1418
Loa Loa (eye worm)	FKBP-type peptidyl-prolyl cis-trans isomerase-12	0.0055	0.0287	0.025
Giardia lamblia	FKBP-type peptidyl-prolyl cis-trans isomerase	0.0055	0.0287	0.0152
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0074	0.0588	1
Entamoeba histolytica	Phosphatidylinositol 3- and 4-kinase family	0.0131	0.1451	0.1332
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0045	0.0137	0.0099
Loa Loa (eye worm)	CYP4Cod1	0.0074	0.0588	0.0551
Treponema pallidum	peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB)	0.0055	0.0287	0.5
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0045	0.0137	0.0137
Schistosoma mansoni	immunophilin	0.0055	0.0287	0.0197
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0137	0.0099
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0373	0.5141	0.5141
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0045	0.0137	0.0137
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0693	1	1
Echinococcus granulosus	phosphatidylinositol 4 phosphate 3 kinase C2	0.0045	0.0137	0.0099
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0551	0.7851	0.7822
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0374	0.515	0.515
Echinococcus granulosus	phosphatidylinositol 3 kinase catalytic subunit	0.0045	0.0137	0.0099
Leishmania major	cytochrome p450-like protein	0.0074	0.0588	0.0457
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0232	0.2992	0.2895
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0045	0.0137	0.0046
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0232	0.2992	0.2992
Schistosoma mansoni	fkbp-rapamycin associated protein	0.0131	0.1451	0.1372
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0045	0.0137	0.0137
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0045	0.0137	0.0137
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0131	0.1451	0.1418
Schistosoma mansoni	aldehyde dehydrogenase	0.0073	0.0573	0.0485
Entamoeba histolytica	peptidyl-prolyl cis-trans isomerase, FKBP-type, putative	0.0055	0.0287	0.0152
Loa Loa (eye worm)	phosphatidylinositol 3	0.0045	0.0137	0.0099
Echinococcus granulosus	Phosphatidylinositol 4 kinase type 2 beta	0.0045	0.0137	0.0099
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0693	1	1
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0693	1	1
Schistosoma mansoni	hypothetical protein	0.0101	0.0998	0.0915
Echinococcus granulosus	phosphatidylinositol 4 kinase beta	0.0045	0.0137	0.0099
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0693	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0146	0.1679	0.1679
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0131	0.1451	0.1332
Schistosoma mansoni	phosphatidylinositol 3-kinase class	0.0045	0.0137	0.0046
Echinococcus multilocularis	Phosphatidylinositol 4 kinase type 2 beta	0.0045	0.0137	0.0099
Trypanosoma cruzi	cytochrome P450, putative	0.0074	0.0588	0.0457
Echinococcus granulosus	DNA dependent protein kinase catalytic subunit	0.0045	0.0137	0.0099
Echinococcus multilocularis	PIK kinase, FAT and Armadillo domain containing protein	0.0101	0.0998	0.0964
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0551	0.7843	0.7843
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0131	0.1451	0.1372
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0515	0.7298	0.7298
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0465	0.6529	0.6529
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0045	0.0137	0.0099
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0515	0.7298	0.7298
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0045	0.0137	0.0099
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0045	0.0137	0.0137
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	0.0045	0.0137	0.0099
Plasmodium vivax	70 kDa peptidylprolyl isomerase, putative	0.0055	0.0287	1
Echinococcus multilocularis	peptidyl prolyl cis trans isomerase FKBP4	0.0047	0.0173	0.0135
Echinococcus granulosus	peptidyl prolyl cis trans isomerase FKBP1A	0.0055	0.0287	0.025
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0232	0.2992	0.2992
Loa Loa (eye worm)	phosphatidylinositol 3	0.0045	0.0137	0.0099
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0515	0.7298	0.7298
Entamoeba histolytica	hypothetical protein	0.0131	0.1451	0.1332
Trypanosoma cruzi	FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative	0.0055	0.0287	0.0152
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0693	1	1
Echinococcus multilocularis	phosphatidylinositol 4 kinase alpha	0.0045	0.0137	0.0099
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0373	0.5141	0.5141
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0045	0.0137	0.0137
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0515	0.7298	0.7298
Loa Loa (eye worm)	phosphatidylinositol kinase	0.0045	0.0137	0.0099
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0414	0.5757	0.5757
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0515	0.7298	0.7298
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.0045	0.0137	0.0046
Loa Loa (eye worm)	hypothetical protein	0.0146	0.1679	0.1647
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0551	0.7843	0.7843
Giardia lamblia	GTOR	0.0693	1	1
Loa Loa (eye worm)	cytochrome P450 family protein	0.0074	0.0588	0.0551
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0045	0.0137	0.0137
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0131	0.1451	0.1451
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0086	0.077	0.077
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0045	0.0137	0.0046
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0045	0.0137	0.0137
Toxoplasma gondii	aldehyde dehydrogenase	0.0073	0.0573	0.0609

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	13.1154 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)	= 14.1254 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))]	ChEMBL.	No reference
Potency (functional)	= 35.4813 um	PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 35.4813 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) [Related pubchem assays: 1379 ]	ChEMBL.	No reference
Potency (functional)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	70.7946 uM	PUBCHEM_BIOASSAY: qHTS for Inducers of the Endoplasmic Reticulum Stress Response (ERSR) in Human Glioma: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	79.4328 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference
Potency (functional)	100 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

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: CHEMBL1577872

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1433687