TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 269.605 | Formula: C9H7ClF3NO3
H donors: 2 H acceptors: 2 LogP: 2.89 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Nc1cc(Cl)ccc1O)OCC(F)(F)F
InChi: 1S/C9H7ClF3NO3/c10-5-1-2-7(15)6(3-5)14-8(16)17-4-9(11,12)13/h1-3,15H,4H2,(H,14,16)
InChiKey: DTUKFHXULWVPCY-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

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0242	0.0694
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	0.0081	0.1492	0.3426
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0151	0.2811	1
Brugia malayi	glutamate-cysteine ligase modifier subunit	0.0044	0.0783	0.2657
Mycobacterium leprae	Conserved hypothetical protein	0.0107	0.1984	0.5922
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0022	0.0381	0.1115
Leishmania major	aldehyde reductase, putative,oxidoreductase, putative	0.0151	0.2811	1
Echinococcus granulosus	aldo keto reductase family 1, member B4	0.0044	0.0783	0.1764
Entamoeba histolytica	recQ family helicase, putative	0.0012	0.0192	0.0439
Trichomonas vaginalis	aldo-keto reductase, putative	0.0151	0.2811	1
Echinococcus multilocularis	aldo keto reductase	0.0151	0.2811	0.6524
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0151	0.2811	0.6524
Echinococcus granulosus	aldo keto reductase	0.0151	0.2811	0.6524
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0151	0.2811	0.6524
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0151	0.2811	0.6524
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0004	0.0025	0.00000000034921
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0192	0.0513
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0151	0.2811	0.6524
Echinococcus multilocularis	dnaJ subfamily B	0.0229	0.4292	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0015	0.025	0.0592
Trichomonas vaginalis	aldo-keto reductase, putative	0.0151	0.2811	1
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.0081	0.1492	0.522
Brugia malayi	intermediate filament protein	0.0015	0.0242	0.0698
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.0012	0.0192	0.0518
Echinococcus granulosus	aldehyde reductase	0.0107	0.1984	0.4583
Echinococcus granulosus	bloom syndrome protein	0.0012	0.0192	0.0376
Mycobacterium tuberculosis	Conserved protein	0.0044	0.0783	0.1654
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0034	0.0602	0.1403
Echinococcus granulosus	transcription factor Dp 1	0.0047	0.0845	0.1909
Trichomonas vaginalis	aldo-keto reductase, putative	0.0151	0.2811	1
Brugia malayi	ImpB/MucB/SamB family protein	0.0022	0.0381	0.1203
Plasmodium falciparum	aldehyde reductase, putative	0.0044	0.0783	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0151	0.2811	1
Trichomonas vaginalis	conserved hypothetical protein	0.0044	0.0783	0.2721
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0015	0.0242	0.0694
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0151	0.2811	0.6524
Onchocerca volvulus		0.0151	0.2811	1
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0004	0.0025	0.00000000034921
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0022	0.0381	0.1279
Trichomonas vaginalis	aldo-keto reductase, putative	0.0151	0.2811	1
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0081	0.1492	0.5175
Schistosoma mansoni	blooms syndrome DNA helicase	0.0006	0.0072	0.0168
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0151	0.2811	0.6524
Schistosoma mansoni	hypothetical protein	0.0172	0.322	0.7503
Echinococcus multilocularis	aldehyde reductase	0.0107	0.1984	0.4583
Leishmania major	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0012	0.0192	0.0382
Giardia lamblia	Aldose reductase	0.0151	0.2811	1
Trichomonas vaginalis	DNA helicase recq, putative	0.0012	0.0192	0.0599
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0381	0.1077
Echinococcus granulosus	ATP dependent DNA helicase Q1	0.0012	0.0192	0.0376
Echinococcus multilocularis	cpg binding protein	0.0017	0.0278	0.0578
Treponema pallidum	ATP-dependent DNA helicase	0.0006	0.0077	0.5
Loa Loa (eye worm)	oxidoreductase	0.0151	0.2811	1
Echinococcus granulosus	lamin dm0	0.0015	0.0242	0.0493
Echinococcus multilocularis	musashi	0.0015	0.0242	0.0493
Echinococcus multilocularis	aldo keto reductase	0.0151	0.2811	0.6524
Schistosoma mansoni	hypothetical protein	0.0229	0.4292	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0151	0.2811	0.6524
Schistosoma mansoni	cpg binding protein	0.0016	0.0261	0.0608
Trichomonas vaginalis	DNA helicase recq1, putative	0.0012	0.0192	0.0599
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0007	0.0094	0.0146
Trichomonas vaginalis	aldo-keto reductase, putative	0.0151	0.2811	1
Loa Loa (eye worm)	intermediate filament protein	0.0015	0.0242	0.0694
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0016	0.0261	0.0762
Toxoplasma gondii	aldo/keto reductase family oxidoreductase	0.0044	0.0783	0.2597
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0022	0.0381	0.0889
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0151	0.2811	1
Leishmania major	aldo/keto reductase, putative,aldo/keto reductase family-like protein	0.0044	0.0783	0.2552
Trichomonas vaginalis	aldo-keto reductase, putative	0.0151	0.2811	1
Trichomonas vaginalis	aldo/keto reductase, putative	0.0151	0.2811	1
Entamoeba histolytica	aldose reductase, putative	0.0151	0.2811	1
Leishmania major	prostaglandin f synthase, putative	0.0151	0.2811	1
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0081	0.1492	0.5175
Schistosoma mansoni	lamin	0.0015	0.0242	0.0564
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0381	0.1077
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	0.0081	0.1492	0.3426
Trypanosoma brucei	DNA polymerase IV, putative	0.0022	0.0381	0.1077
Trypanosoma cruzi	aldo/keto reductase, putative	0.0151	0.2811	1
Toxoplasma gondii	BRCA1 C Terminus (BRCT) domain-containing protein	0.0007	0.0088	0.0059
Mycobacterium ulcerans	oxidoreductase	0.0151	0.2811	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0151	0.2811	0.6524
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0381	0.1199
Loa Loa (eye worm)	hypothetical protein	0.0151	0.2811	1
Brugia malayi	polk-prov protein	0.0007	0.0088	0.0141
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0237	0.0675
Loa Loa (eye worm)	ATP-dependent DNA helicase	0.0012	0.0192	0.0513
Trichomonas vaginalis	aldo-keto reductase, putative	0.0151	0.2811	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0381	0.1077
Trichomonas vaginalis	aldo-keto reductase, putative	0.0151	0.2811	1
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	0.0081	0.1492	0.5222
Trichomonas vaginalis	DNA polymerase eta, putative	0.0022	0.0381	0.1279
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0012	0.0192	0.0439
Trypanosoma cruzi	hypothetical protein, conserved	0.0007	0.0088	0.0043
Plasmodium vivax	DNA repair protein REV1, putative	0.0007	0.0088	0.0229
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0381	0.1077
Toxoplasma gondii	ImpB/MucB/SamB family protein	0.0007	0.0088	0.0059
Brugia malayi	ImpB/MucB/SamB family protein	0.0022	0.0381	0.1203
Trypanosoma cruzi	hypothetical protein, conserved	0.0007	0.0088	0.0043
Echinococcus granulosus	cpg binding protein	0.0017	0.0278	0.0578
Loa Loa (eye worm)	glutamate-cysteine ligase modifier subunit	0.0044	0.0783	0.2654
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0004	0.0025	0.00000000034921
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0004	0.0025	0.00000000034921
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.0012	0.0192	0.0518
Trypanosoma brucei	prostaglandin f synthase	0.0151	0.2811	1
Entamoeba histolytica	aldose reductase, putative	0.0151	0.2811	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0151	0.2811	0.6524
Leishmania major	DNA polymerase eta, putative	0.0022	0.0381	0.1077
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0151	0.2811	0.6524
Giardia lamblia	Sgs1 DNA helicase, putative	0.0012	0.0192	0.0382
Onchocerca volvulus		0.0044	0.0783	0.2106
Trypanosoma brucei	unspecified product	0.0015	0.025	0.0592
Mycobacterium ulcerans	hypothetical protein	0.0044	0.0783	0.2552
Echinococcus granulosus	intermediate filament protein	0.0015	0.0242	0.0493
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0088	0.0137
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0005	0.0051	0.0044
Echinococcus granulosus	aldo keto reductase	0.0151	0.2811	0.6524
Plasmodium falciparum	aldo-keto reductase, putative	0.0044	0.0783	1
Echinococcus multilocularis	transcription factor Dp 1	0.0047	0.0845	0.1909
Trichomonas vaginalis	aldo-keto reductase, putative	0.0044	0.0783	0.2721
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0077	0.0094
Brugia malayi	Intermediate filament tail domain containing protein	0.0015	0.0242	0.0698
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0022	0.0381	0.1115
Schistosoma mansoni	blooms syndrome DNA helicase	0.0006	0.0077	0.0178
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0012	0.0192	0.0439
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0089	0.014
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0022	0.0381	0.1199
Trypanosoma brucei	unspecified product	0.0015	0.025	0.0592
Trypanosoma brucei	DNA polymerase kappa, putative	0.0015	0.025	0.0592
Echinococcus granulosus	voltage gated potassium channel subunit	0.0044	0.0783	0.1764
Brugia malayi	NADH-dependent xylose reductase	0.0044	0.0783	0.2657
Leishmania major	prostaglandin f2-alpha synthase/D-arabinose dehydrogenase	0.0151	0.2811	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0381	0.1077
Echinococcus granulosus	ATP dependent DNA helicase Q5	0.0012	0.0192	0.0376
Echinococcus granulosus	dnaJ subfamily B	0.0229	0.4292	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0151	0.2811	0.6524
Trypanosoma cruzi	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0012	0.0192	0.0423
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0151	0.2811	0.6524
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0022	0.0381	0.1115
Toxoplasma gondii	oxidoreductase, aldo/keto reductase family protein	0.0044	0.0783	0.2597
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.0081	0.1492	0.3475
Echinococcus granulosus	lamin	0.0015	0.0242	0.0493
Echinococcus granulosus	hypothetical protein	0.0151	0.2811	0.6524
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0381	0.1077
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0022	0.0381	0.082
Trypanosoma brucei	DNA polymerase IV, putative	0.0022	0.0381	0.1077
Trypanosoma brucei	unspecified product	0.0022	0.0381	0.1077
Trichomonas vaginalis	aldo/keto reductase, putative	0.0151	0.2811	1
Entamoeba histolytica	tyrosyl-DNA phosphodiesterase, putative	0.0081	0.1492	0.5183
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0022	0.0381	0.1077
Onchocerca volvulus		0.0151	0.2811	1
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0089	0.014
Trypanosoma brucei	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0012	0.0192	0.0382
Giardia lamblia	Aldose reductase	0.0151	0.2811	1
Echinococcus multilocularis	dna polymerase eta	0.0022	0.0381	0.082
Echinococcus granulosus	dna polymerase eta	0.0022	0.0381	0.082
Trypanosoma brucei	DNA polymerase eta, putative	0.0022	0.0381	0.1077
Loa Loa (eye worm)	RecQ helicase	0.0012	0.0192	0.0513
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0151	0.2811	0.6524
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0004	0.0032	0.0074
Plasmodium vivax	ADP-dependent DNA helicase RecQ, putative	0.0006	0.0077	0.0064
Trypanosoma brucei	aldo/keto reductase, putative	0.0044	0.0783	0.2552
Schistosoma mansoni	cpg binding protein	0.0017	0.0278	0.0648
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0151	0.2811	1
Echinococcus granulosus	geminin	0.0172	0.322	0.7484
Trypanosoma brucei	DNA polymerase kappa, putative	0.0015	0.025	0.0592
Plasmodium vivax	aldehyde reductase, putative	0.0044	0.0783	1
Trypanosoma cruzi	aldo/keto reductase, putative	0.0044	0.0783	0.2584
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0005	0.0051	0.0044
Trypanosoma cruzi	DNA damage repair protein, putative	0.0007	0.0088	0.0043
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0381	0.1077
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0151	0.2811	1
Schistosoma mansoni	intermediate filament proteins	0.0015	0.0242	0.0564
Schistosoma mansoni	polycystin 1-related	0.0047	0.0839	0.1955
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0022	0.0381	0.113
Schistosoma mansoni	DNA polymerase IV / kappa	0.0007	0.0088	0.0206
Schistosoma mansoni	lamin	0.0015	0.0242	0.0564
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0004	0.0025	0.00000000034921
Brugia malayi	CXXC zinc finger family protein	0.0016	0.0261	0.0766
Onchocerca volvulus		0.0016	0.0261	0.0072
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0381	0.1077
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0008	0.0109	0.0214
Brugia malayi	cytoplasmic intermediate filament protein	0.0008	0.0109	0.0218
Toxoplasma gondii	ImpB/MucB/SamB family protein	0.0007	0.0088	0.0059
Onchocerca volvulus		0.0151	0.2811	1
Mycobacterium leprae	PROBABLE OXIDOREDUCTASE	0.0151	0.2811	1
Echinococcus multilocularis	aldo keto reductase	0.0151	0.2811	0.6524
Echinococcus multilocularis	lamin	0.0015	0.0242	0.0493
Entamoeba histolytica	alcohol dehydrogenase, putative	0.0044	0.0783	0.2597
Mycobacterium tuberculosis	Probable oxidoreductase	0.0151	0.2811	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0044	0.0783	0.2721
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0077	0.0094
Giardia lamblia	DINP protein human, muc B family	0.0022	0.0381	0.1077
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0007	0.0094	0.0146
Mycobacterium ulcerans	DNA polymerase IV	0.0022	0.0381	0.1077
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0151	0.2811	1
Onchocerca volvulus		0.0151	0.2811	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0151	0.2811	0.6524
Toxoplasma gondii	aldose reductase, putative	0.0151	0.2811	1
Toxoplasma gondii	aldo-keto reductase	0.0044	0.0783	0.2597
Onchocerca volvulus		0.0151	0.2811	1
Leishmania major	aldo-keto reductase-like protein	0.0151	0.2811	1
Echinococcus multilocularis	ATP dependent DNA helicase Q1	0.0012	0.0192	0.0376
Trichomonas vaginalis	alcohol dehydrogenase, putative	0.0044	0.0783	0.2721
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0151	0.2811	0.6524
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0151	0.2811	0.6524
Trypanosoma brucei	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0081	0.1492	0.5154
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0151	0.2811	1
Schistosoma mansoni	potassium channel beta	0.0044	0.0783	0.1825
Trichomonas vaginalis	aldo-keto reductase, putative	0.0151	0.2811	1
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0004	0.0025	0.00000000034921
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0022	0.0381	0.082
Schistosoma mansoni	DNA helicase recq1	0.0012	0.0192	0.0448
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0004	0.0025	0.00000000034921
Echinococcus multilocularis	lamin dm0	0.0015	0.0242	0.0493
Trichomonas vaginalis	DNA helicase recq, putative	0.0012	0.0192	0.0599
Loa Loa (eye worm)	oxidoreductase	0.0151	0.2811	1
Plasmodium falciparum	ATP-dependent DNA helicase Q1	0.0012	0.0192	0.1496
Echinococcus granulosus	dna polymerase kappa	0.0022	0.0381	0.082
Trypanosoma cruzi	aldo-keto reductase	0.0151	0.2811	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0381	0.1077
Onchocerca volvulus		0.0151	0.2811	1
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0004	0.0025	0.00000000034921
Trypanosoma cruzi	DNA polymerase eta, putative	0.0022	0.0381	0.1115
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0151	0.2811	0.6524
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0151	0.2811	0.6524
Leishmania major	DNA polymerase kappa, putative	0.0022	0.0381	0.1077
Echinococcus multilocularis	aldo keto reductase	0.0151	0.2811	0.6524
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0006	0.0077	0.0017
Schistosoma mansoni	pol-related	0.0151	0.2811	0.655
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0094	0.0159
Schistosoma mansoni	aldo-keto reductase	0.0151	0.2811	0.655
Loa Loa (eye worm)	oxidoreductase	0.0151	0.2811	1
Mycobacterium ulcerans	DNA polymerase IV	0.0022	0.0381	0.1077
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0022	0.0381	0.0889
Loa Loa (eye worm)	oxidoreductase	0.0151	0.2811	1
Trypanosoma brucei	aldo-keto reductase, putative	0.0151	0.2811	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0151	0.2811	1
Trypanosoma brucei	DNA polymerase IV, putative	0.0022	0.0381	0.1077
Plasmodium falciparum	ADP-dependent DNA helicase RecQ	0.0012	0.0192	0.1496
Trypanosoma cruzi	DNA damage repair protein, putative	0.0007	0.0088	0.0043
Entamoeba histolytica	recQ family DNA helicase	0.0006	0.0077	0.0017
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0022	0.0381	0.1115
Schistosoma mansoni	cpg binding protein	0.0017	0.0278	0.0648
Trichomonas vaginalis	aldo-keto reductase, putative	0.0151	0.2811	1
Leishmania major	tyrosyl-DNA phosphodiesterase 1	0.0081	0.1492	0.5154
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0151	0.2811	1
Trichomonas vaginalis	aldo/keto reductase, putative	0.0151	0.2811	1
Trypanosoma cruzi	DNA polymerase eta, putative	0.0007	0.0088	0.0043
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0381	0.1077
Echinococcus multilocularis	dna polymerase kappa	0.0022	0.0381	0.082
Schistosoma mansoni	aldo-keto reductase	0.0151	0.2811	0.655
Echinococcus multilocularis	bloom syndrome protein	0.0012	0.0192	0.0376
Trichomonas vaginalis	aldo-keto reductase, putative	0.0044	0.0783	0.2721
Echinococcus granulosus	aldo keto reductase	0.0151	0.2811	0.6524
Echinococcus multilocularis	voltage gated potassium channel subunit	0.0044	0.0783	0.1764
Echinococcus multilocularis	ATP dependent DNA helicase Q5	0.0012	0.0192	0.0376
Loa Loa (eye worm)	oxidoreductase	0.0151	0.2811	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0151	0.2811	0.6524
Schistosoma mansoni	DNA polymerase eta	0.0022	0.0381	0.0889
Entamoeba histolytica	alcohol dehydrogenase, putative	0.0044	0.0783	0.2597
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0151	0.2811	0.6524
Entamoeba histolytica	aldose reductase, putative	0.0151	0.2811	1
Toxoplasma gondii	histone lysine methyltransferase SET1	0.003	0.0533	0.1683
Plasmodium vivax	oxidoreductase, aldo/keto reductase domain containing protein	0.0044	0.0783	1
Echinococcus multilocularis	geminin	0.0172	0.322	0.7484
Brugia malayi	Bloom's syndrome protein homolog	0.0012	0.0192	0.0518
Schistosoma mansoni	DNA helicase recq5	0.0012	0.0192	0.0448
Schistosoma mansoni	hypothetical protein	0.0172	0.322	0.7503

Activities

Activity type	Activity value	Assay description	Source	Reference
Kp (ADMET)	= 1.4 s-1	Compound was evaluated for its rate constant (Kp) which are average values of Kobs measured in the pH range 10-11 at 25 degree C (micro = 0.5 M ).	ChEMBL.	7562932
pKa	= 12.4	Compound was evaluated for pKa	ChEMBL.	7562932
T1/2 (ADMET)	= 155 day	Compound was evaluated for its hydrolysis half life obtained from the relation Kobs was measured in a pH 7.4 phosphate buffer at 37 degree C (micro = 0.5 M ).	ChEMBL.	7562932
T1/2 (ADMET)	0 s	Half life period of the compound was determined in human plasma at 37 degree centigrade temperature (pH 7.4); ND means no data	ChEMBL.	No reference
T1/2 (ADMET)	0 s	Half life period of the compound was determined in rat plasma at 37 degree centigrade temperature (pH 7.4); ND means no data	ChEMBL.	No reference
T1/2 (ADMET)	= 155 s	Half life period of the compound was determined in phosphate buffer at pH 7.4	ChEMBL.	No reference

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: CHEMBL131157

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 225338