TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 452.865 | Formula: C23H18ClFN4O3
H donors: 2 H acceptors: 2 LogP: 4.83 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: N#Cc1c(N)nc(cc1c1ccc(cc1Cl)F)c1c[nH]c2c1cc(OC)c(c2OC)OC
InChi: 1S/C23H18ClFN4O3/c1-30-19-8-14-16(10-28-20(14)22(32-3)21(19)31-2)18-7-13(15(9-26)23(27)29-18)12-5-4-11(25)6-17(12)24/h4-8,10,28H,1-3H3,(H2,27,29)
InChiKey: ITLZJGLRCUMPSA-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
Schistosoma mansoni	hypothetical protein	0.0033	0.2132	0.4091
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0341	0.0341
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0039	0.2607	0.547
Leishmania major	inositol/phosphatidylinositol phosphatase, putative	0.0008	0.011	0.0231
Echinococcus granulosus	intermediate filament protein	0.0028	0.1731	0.3426
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0021	0.1159	0.2216
Schistosoma mansoni	ap endonuclease	0.0039	0.2607	0.5002
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0039	0.2607	0.2607
Onchocerca volvulus		0.0028	0.1731	1
Echinococcus granulosus	ferritin	0.0009	0.0238	0.0271
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0021	0.1159	0.3295
Trypanosoma brucei	DNA polymerase eta, putative	0.0021	0.1159	0.3295
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0011	0.0341	0.0716
Giardia lamblia	Inositol 5-phosphatase 4	0.0008	0.011	0.0313
Echinococcus granulosus	dna polymerase eta	0.0021	0.1159	0.2216
Giardia lamblia	Kinase, CMGC MAPK	0.005	0.3517	1
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0066	0.4766	0.9836
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0039	0.2607	0.547
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0017	0.0854	0.1639
Echinococcus multilocularis	mitogen activated protein kinase 3	0.005	0.3517	0.7198
Schistosoma mansoni	ferritin	0.0009	0.0238	0.0457
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0021	0.1159	0.3295
Trypanosoma brucei	RNA editing exonuclease 2	0.0008	0.011	0.0313
Echinococcus granulosus	tar DNA binding protein	0.0067	0.4843	1
Brugia malayi	Latrophilin receptor protein 2	0.0033	0.2132	0.2711
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0021	0.1159	0.3079
Giardia lamblia	hypothetical protein	0.0008	0.011	0.0313
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.1159	0.3295
Brugia malayi	Endonuclease/Exonuclease/phosphatase family protein	0.0008	0.011	0.014
Trypanosoma cruzi	inositol 5-phosphatase 1, putative	0.0008	0.011	0.0313
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.005	0.3517	1
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0021	0.1159	0.2432
Mycobacterium tuberculosis	Bacterioferritin BfrB	0.0009	0.0238	0.0275
Trypanosoma brucei	DNA polymerase IV, putative	0.0021	0.1159	0.3295
Brugia malayi	isocitrate dehydrogenase	0.0017	0.0854	0.1086
Trichomonas vaginalis	DNA helicase recq, putative	0.0026	0.1569	0.4281
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0033	0.2132	0.4272
Mycobacterium ulcerans	DNA polymerase IV	0.0021	0.1159	0.2432
Brugia malayi	Endonuclease/Exonuclease/phosphatase family protein	0.0008	0.011	0.014
Trichomonas vaginalis	DNA polymerase eta, putative	0.0021	0.1159	0.3079
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.1159	0.3295
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0021	0.1159	0.3295
Trypanosoma brucei	unspecified product	0.0014	0.0637	0.1812
Schistosoma mansoni	ocrl type II inositol 5-phosphatase	0.0008	0.011	0.0211
Trypanosoma cruzi	RNA-editing complex protein MP100, putative	0.0008	0.011	0.0313
Echinococcus granulosus	ATP dependent DNA helicase Q1	0.0011	0.0341	0.0489
Leishmania major	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0014	0.0595	0.1249
Leishmania major	RNA-editing complex protein MP100, putative	0.0008	0.011	0.0231
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0033	0.2132	0.4272
Brugia malayi	intermediate filament protein	0.0028	0.1731	0.2201
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0028	0.1731	0.1731
Loa Loa (eye worm)	endonuclease/Exonuclease/phosphatase	0.0008	0.011	0.011
Trypanosoma cruzi	Endonuclease/Exonuclease/phosphatase family, putative	0.0008	0.011	0.0313
Echinococcus granulosus	bloom syndrome protein	0.0026	0.1569	0.3082
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0021	0.1159	0.2224
Schistosoma mansoni	lamin	0.0028	0.1731	0.3322
Toxoplasma gondii	aldehyde dehydrogenase	0.0066	0.4766	1
Brugia malayi	RNA recognition motif domain containing protein	0.0067	0.4843	0.6158
Schistosoma mansoni	apoferritin-2	0.0009	0.0238	0.0457
Plasmodium vivax	hypothetical protein, conserved	0.0008	0.011	0.0422
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0017	0.0854	0.2429
Trypanosoma cruzi	pantothenate kinase subunit, putative	0.0008	0.011	0.0313
Loa Loa (eye worm)	RecQ helicase	0.0026	0.1569	0.1569
Trypanosoma brucei	Endonuclease/Exonuclease/phosphatase family, putative	0.0008	0.011	0.0313
Schistosoma mansoni	apoferritin-2	0.0009	0.0238	0.0457
Trichomonas vaginalis	CMGC family protein kinase	0.005	0.3517	1
Loa Loa (eye worm)	endonuclease/Exonuclease/phosphatase	0.0008	0.011	0.011
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0014	0.0566	0.0963
Plasmodium falciparum	carbon catabolite repressor protein 4, putative	0.0008	0.011	0.0422
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.1159	0.3295
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.005	0.3517	0.738
Brugia malayi	ImpB/MucB/SamB family protein	0.0021	0.1159	0.1473
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0033	0.2132	0.4272
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0017	0.0854	0.3277
Trypanosoma brucei	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0014	0.0595	0.1692
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0021	0.1159	0.2224
Brugia malayi	ImpB/MucB/SamB family protein	0.0021	0.1159	0.1473
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0105	0.7865	1
Loa Loa (eye worm)	hypothetical protein	0.0028	0.1731	0.1731
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0039	0.2607	0.7411
Loa Loa (eye worm)	hypothetical protein	0.0072	0.5211	0.5211
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.005	0.3517	0.738
Schistosoma mansoni	aldehyde dehydrogenase	0.0066	0.4766	0.9145
Trypanosoma brucei	DNA polymerase IV, putative	0.0021	0.1159	0.3295
Loa Loa (eye worm)	CCR4-NOT transcription complex subunit 6 family protein	0.0008	0.011	0.011
Toxoplasma gondii	endonuclease/exonuclease/phosphatase family protein	0.0008	0.011	0.0231
Trypanosoma cruzi	Endonuclease/Exonuclease/phosphatase family, putative	0.0008	0.011	0.0313
Brugia malayi	MAP kinase sur-1	0.005	0.3517	0.4472
Plasmodium vivax	endonuclease/exonuclease/phosphatase domain containing protein	0.0008	0.011	0.0422
Trypanosoma brucei	Endonuclease/Exonuclease/phosphatase family, putative	0.0008	0.011	0.0313
Plasmodium falciparum	carbon catabolite repressor protein 4, putative	0.0008	0.011	0.0422
Loa Loa (eye worm)	endonuclease/Exonuclease/phosphatase	0.0008	0.011	0.011
Toxoplasma gondii	endonuclease/exonuclease/phosphatase family protein	0.0008	0.011	0.0231
Trypanosoma cruzi	endonuclease/exonuclease/phosphatase, putative	0.0008	0.011	0.0313
Brugia malayi	Endonuclease/Exonuclease/phosphatase family protein	0.0008	0.011	0.014
Onchocerca volvulus		0.0028	0.1731	1
Schistosoma mansoni	intermediate filament proteins	0.0028	0.1731	0.3322
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0021	0.1159	0.4201
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0066	0.4766	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0105	0.7865	0.7865
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.0011	0.0341	0.0434
Loa Loa (eye worm)	RNA binding protein	0.0067	0.4843	0.4843
Leishmania major	DNA polymerase eta, putative	0.0021	0.1159	0.2432
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.1159	0.3295
Trypanosoma cruzi	Endonuclease/Exonuclease/phosphatase family, putative	0.0008	0.011	0.0313
Trypanosoma cruzi	DNA polymerase eta, putative	0.0021	0.1159	0.3295
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0039	0.2607	0.7411
Plasmodium falciparum	ATP-dependent DNA helicase Q1	0.0011	0.0341	0.1309
Schistosoma mansoni	ferritin	0.0009	0.0238	0.0457
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0017	0.0854	0.1572
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0017	0.0854	0.1572
Echinococcus multilocularis	ATP dependent DNA helicase Q5	0.0011	0.0341	0.0489
Loa Loa (eye worm)	endonuclease/Exonuclease/phosphatase	0.0008	0.011	0.011
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0066	0.4766	1
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0033	0.2132	0.2132
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0524	0.0524
Schistosoma mansoni	hypothetical protein	0.0033	0.2132	0.4091
Brugia malayi	TAR-binding protein	0.0067	0.4843	0.6158
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.4843	0.9293
Echinococcus multilocularis	expressed protein	0.0009	0.0238	0.0271
Plasmodium falciparum	endonuclease/exonuclease/phosphatase family protein, putative	0.0008	0.011	0.0422
Plasmodium vivax	ADP-dependent DNA helicase RecQ, putative	0.0018	0.0892	0.3421
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0021	0.1159	0.2216
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0017	0.0854	0.2429
Schistosoma mansoni	hypothetical protein	0.0008	0.011	0.0211
Mycobacterium ulcerans	bacterioferritin BfrA	0.0009	0.0238	0.05
Trichomonas vaginalis	CMGC family protein kinase	0.005	0.3517	1
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.0011	0.0341	0.0434
Echinococcus granulosus	dna polymerase kappa	0.0021	0.1159	0.2216
Schistosoma mansoni	synaptojanin	0.0008	0.011	0.0211
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0017	0.0854	0.0854
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.005	0.3517	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.1159	0.3295
Mycobacterium ulcerans	bacterioferritin BfrB	0.0009	0.0238	0.05
Mycobacterium tuberculosis	Probable bacterioferritin BfrA	0.0009	0.0238	0.0275
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0021	0.1159	0.1159
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0011	0.0341	0.0716
Plasmodium falciparum	exodeoxyribonuclease III, putative	0.0008	0.011	0.0422
Schistosoma mansoni	hypothetical protein	0.0072	0.5211	1
Trichomonas vaginalis	ap endonuclease, putative	0.0039	0.2607	0.7328
Echinococcus granulosus	mitogen activated protein kinase 3	0.005	0.3517	0.7198
Echinococcus granulosus	expressed protein	0.0009	0.0238	0.0271
Leishmania major	hypothetical protein, conserved	0.0008	0.011	0.0231
Trypanosoma brucei	DNA-(apurinic or apyrimidinic site) lyase, putative	0.0008	0.011	0.0313
Schistosoma mansoni	serine/threonine protein kinase	0.005	0.3517	0.6749
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.4843	0.9293
Toxoplasma gondii	exonuclease III APE	0.0039	0.2607	0.547
Echinococcus granulosus	lamin dm0	0.0028	0.1731	0.3426
Giardia lamblia	Sgs1 DNA helicase, putative	0.0011	0.0341	0.097
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.4843	0.9293
Schistosoma mansoni	hypothetical protein	0.0033	0.2132	0.4091
Schistosoma mansoni	ap endonuclease	0.0039	0.2607	0.5002
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.1159	0.3295
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0021	0.1159	0.2253
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0033	0.2132	0.2711
Schistosoma mansoni	hypothetical protein	0.0033	0.2132	0.4091
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0008	0.011	0.0313
Schistosoma mansoni	carbon catabolite repressor protein	0.0008	0.011	0.0211
Toxoplasma gondii	endonuclease/exonuclease/phosphatase family protein	0.0008	0.011	0.0231
Brugia malayi	Isocitrate dehydrogenase	0.0017	0.0854	0.1086
Schistosoma mansoni	ferritin	0.0009	0.0238	0.0457
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0021	0.1159	0.2253
Leishmania major	inositol phosphosphingolipid phospholipase C-Like	0.0008	0.011	0.0231
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0021	0.1159	0.3295
Trypanosoma brucei	protein kinase, putative	0.005	0.3517	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0566	0.0566
Trypanosoma brucei	Endonuclease/Exonuclease/phosphatase family, putative	0.0008	0.011	0.0313
Entamoeba histolytica	recQ family helicase, putative	0.0014	0.0595	0.1943
Brugia malayi	Endonuclease/Exonuclease/phosphatase family protein	0.0008	0.011	0.014
Trypanosoma cruzi	Endonuclease/Exonuclease/phosphatase family, putative	0.0008	0.011	0.0313
Loa Loa (eye worm)	hypothetical protein	0.0028	0.169	0.169
Trichomonas vaginalis	ferritin, putative	0.0009	0.0238	0.0376
Echinococcus granulosus	lamin	0.0028	0.1731	0.3426
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0039	0.2607	1
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0039	0.2607	1
Schistosoma mansoni	DNA helicase recq1	0.0011	0.0341	0.0655
Loa Loa (eye worm)	hypothetical protein	0.0008	0.011	0.011
Echinococcus multilocularis	lamin	0.0028	0.1731	0.3426
Mycobacterium ulcerans	DNA polymerase IV	0.0021	0.1159	0.2432
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0066	0.4766	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.1159	0.3295
Echinococcus multilocularis	mitogen activated protein kinase	0.005	0.3517	0.7198
Loa Loa (eye worm)	hypothetical protein	0.0008	0.011	0.011
Echinococcus multilocularis	GPCR, family 2	0.0033	0.2132	0.4272
Brugia malayi	Endonuclease/Exonuclease/phosphatase family protein	0.0008	0.011	0.014
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.005	0.3517	0.738
Schistosoma mansoni	nocturnin	0.0008	0.011	0.0211
Trypanosoma brucei	DNA polymerase kappa, putative	0.0014	0.0637	0.1812
Trypanosoma cruzi	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0014	0.0595	0.1692
Mycobacterium leprae	PROBABLE BACTERIOFERRITIN BFRA	0.0009	0.0238	0.5
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0017	0.0854	0.3277
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0008	0.011	0.0313
Schistosoma mansoni	ferritin	0.0009	0.0238	0.0457
Plasmodium falciparum	DNase I-like protein, putative	0.0008	0.011	0.0422
Trichomonas vaginalis	DNA helicase recq, putative	0.0014	0.0595	0.1424
Brugia malayi	Endonuclease/Exonuclease/phosphatase family protein	0.0008	0.011	0.014
Echinococcus multilocularis	lamin dm0	0.0028	0.1731	0.3426
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0066	0.4766	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0072	0.5211	0.6626
Leishmania major	hypothetical protein, conserved	0.0008	0.011	0.0231
Treponema pallidum	bacterioferrin (TpF1)	0.0009	0.0238	0.0513
Plasmodium falciparum	ADP-dependent DNA helicase RecQ	0.0023	0.1315	0.5044
Loa Loa (eye worm)	hypothetical protein	0.0021	0.1159	0.1159
Trypanosoma brucei	DNA polymerase IV, putative	0.0021	0.1159	0.3295
Schistosoma mansoni	ferritin light chain	0.0009	0.0238	0.0457
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.005	0.3517	1
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0033	0.2132	0.4272
Loa Loa (eye worm)	hypothetical protein	0.0105	0.7865	0.7865
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.005	0.3517	1
Echinococcus multilocularis	isocitrate dehydrogenase	0.0017	0.0854	0.1572
Brugia malayi	Endonuclease/Exonuclease/phosphatase family protein	0.0008	0.011	0.014
Loa Loa (eye worm)	hypothetical protein	0.0008	0.011	0.011
Loa Loa (eye worm)	endonuclease/Exonuclease/phosphatase	0.0008	0.011	0.011
Trypanosoma brucei	inositol/phosphatidylinositol phosphatase, putative	0.0008	0.011	0.0313
Schistosoma mansoni	blooms syndrome DNA helicase	0.0021	0.1129	0.2166
Brugia malayi	Endonuclease/Exonuclease/phosphatase family protein	0.0008	0.011	0.014
Echinococcus multilocularis	dna polymerase kappa	0.0021	0.1159	0.2216
Toxoplasma gondii	endonuclease/exonuclease/phosphatase family protein	0.0008	0.011	0.0231
Brugia malayi	CCR4	0.0008	0.011	0.014
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0015	0.0685	0.0685
Toxoplasma gondii	endonuclease/exonuclease/phosphatase family protein	0.0008	0.011	0.0231
Brugia malayi	exodeoxyribonuclease III family protein	0.0039	0.2607	0.3314
Echinococcus multilocularis	ferritin	0.0009	0.0238	0.0271
Brugia malayi	cytoplasmic intermediate filament protein	0.0015	0.0685	0.0871
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0017	0.0854	0.1572
Trypanosoma brucei	unspecified product	0.0021	0.1159	0.3295
Trypanosoma cruzi	mitochondrial protein 99, putative	0.0008	0.011	0.0313
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0039	0.2607	0.7411
Brugia malayi	Intermediate filament tail domain containing protein	0.0028	0.1731	0.2201
Trypanosoma brucei	inositol-1,4,5-trisphosphate (IP3) 5-phosphatase, putative	0.0008	0.011	0.0313
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0039	0.2607	1
Toxoplasma gondii	isocitrate dehydrogenase	0.0017	0.0854	0.1792
Schistosoma mansoni	ferritin light chain	0.0009	0.0238	0.0457
Leishmania major	hypothetical protein, conserved	0.0008	0.011	0.0231
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0524	0.0524
Toxoplasma gondii	isocitrate dehydrogenase	0.0017	0.0854	0.1792
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.4843	0.9293
Schistosoma mansoni	DNA polymerase eta	0.0021	0.1159	0.2224
Loa Loa (eye worm)	hypothetical protein	0.0008	0.011	0.011
Echinococcus multilocularis	ATP dependent DNA helicase Q1	0.0011	0.0341	0.0489
Echinococcus granulosus	mitogen activated protein kinase	0.005	0.3517	0.7198
Brugia malayi	RNA binding protein	0.0067	0.4843	0.6158
Trichomonas vaginalis	CMGC family protein kinase	0.005	0.3517	1
Trichomonas vaginalis	CMGC family protein kinase	0.005	0.3517	1
Toxoplasma gondii	endonuclease/exonuclease/phosphatase family protein	0.0008	0.011	0.0231
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.1159	0.3295
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0017	0.0854	0.1792
Schistosoma mansoni	cript-related	0.0008	0.011	0.0211
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0066	0.4766	0.9836
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0017	0.0854	0.1572
Echinococcus multilocularis	tar DNA binding protein	0.0067	0.4843	1
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.005	0.3517	1
Echinococcus multilocularis	dna polymerase eta	0.0021	0.1159	0.2216
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0039	0.2607	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0067	0.4843	0.4843
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0039	0.2607	0.5275
Toxoplasma gondii	endonuclease/exonuclease/phosphatase family protein	0.0008	0.011	0.0231
Loa Loa (eye worm)	TAR-binding protein	0.0067	0.4843	0.4843
Plasmodium vivax	endonuclease/exonuclease/phosphatase domain containing protein	0.0008	0.011	0.0422
Schistosoma mansoni	lamin	0.0028	0.1731	0.3322
Leishmania major	DNA polymerase kappa, putative	0.0021	0.1159	0.2432
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.1159	0.3295
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.4843	0.9293
Echinococcus granulosus	GPCR family 2	0.0033	0.2132	0.4272
Echinococcus multilocularis	bloom syndrome protein	0.0026	0.1569	0.3082
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0017	0.0854	0.2429
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0014	0.0566	0.0963
Trypanosoma brucei	unspecified product	0.0014	0.0637	0.1812
Trichomonas vaginalis	DNA helicase recq1, putative	0.0026	0.1569	0.4281
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0039	0.2607	0.7411
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0017	0.0854	0.2429
Schistosoma mansoni	neutral sphingomyelinase	0.0008	0.011	0.0211
Loa Loa (eye worm)	hypothetical protein	0.0033	0.2132	0.2132
Leishmania major	endonuclease/exonuclease protein-like protein	0.0008	0.011	0.0231
Brugia malayi	Bloom's syndrome protein homolog	0.0026	0.1569	0.1995
Brugia malayi	Endonuclease/Exonuclease/phosphatase family protein	0.0008	0.011	0.014
Schistosoma mansoni	aldehyde dehydrogenase	0.0066	0.4766	0.9145
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.1159	0.3295
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0017	0.0854	0.1572
Leishmania major	pantothenate kinase subunit, putative	0.0008	0.011	0.0231
Echinococcus granulosus	ATP dependent DNA helicase Q5	0.0011	0.0341	0.0489
Trypanosoma cruzi	mitochondrial protein 99, putative	0.0008	0.011	0.0313
Trichomonas vaginalis	ap endonuclease, putative	0.0039	0.2607	0.7328
Loa Loa (eye worm)	intermediate filament protein	0.0028	0.1731	0.1731
Schistosoma mansoni	DNA helicase recq5	0.0011	0.0341	0.0655
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0039	0.2607	0.5275
Loa Loa (eye worm)	ATP-dependent DNA helicase	0.0011	0.0341	0.0341
Trypanosoma brucei	Inositol phosphosphingolipids phospholipase C	0.0008	0.011	0.0313
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0039	0.2607	0.5363
Plasmodium vivax	exodeoxyribonuclease III, putative	0.0008	0.011	0.0422
Trypanosoma brucei	DNA polymerase kappa, putative	0.0014	0.0637	0.1812
Schistosoma mansoni	synaptojanin	0.0008	0.011	0.0211
Trypanosoma cruzi	Endonuclease/Exonuclease/phosphatase family, putative	0.0008	0.011	0.0313
Echinococcus multilocularis	musashi	0.0028	0.1731	0.3426
Giardia lamblia	DINP protein human, muc B family	0.0021	0.1159	0.3295
Trypanosoma cruzi	Inositol phosphosphingolipids phospholipase C	0.0008	0.011	0.0313
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0039	0.2607	1
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0066	0.4766	1
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.0017	0.0854	0.1598
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0105	0.7865	1
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.005	0.3517	0.3517
Trypanosoma brucei	DNA polymerase kappa, putative	0.0014	0.0637	0.1812
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0017	0.0875	0.1836

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 10.38 uM	Cytotoxicity against human H460 cells after 72 hrs by MTT assay	ChEMBL.	21514012
IC50 (functional)	= 99.4 uM	Cytotoxicity against human HT-29 cells after 72 hrs by MTT assay	ChEMBL.	21514012
IC50 (functional)	> 100 uM	Cytotoxicity against human A549 cells after 72 hrs by MTT assay	ChEMBL.	21514012
IC50 (functional)	> 100 uM	Cytotoxicity against human SMMC7721 cells after 72 hrs by MTT assay	ChEMBL.	21514012

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	21514012

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.

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External resources for this compound

ChEMBL: CHEMBL1795673

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1024731