TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 513.972 | Formula: C29H24ClN3O4
H donors: 1 H acceptors: 4 LogP: 3.01 Rotable bonds: 3
Rule of 5 violations (Lipinski): 2
SMILES: CCC1(O)CC(=O)OCc2c1cc1c3nc4ccccc4c(c3Cn1c2=O)/C=N/c1ccc(c(c1)Cl)C
InChi: 1S/C29H24ClN3O4/c1-3-29(36)12-26(34)37-15-21-22(29)11-25-27-20(14-33(25)28(21)35)19(18-6-4-5-7-24(18)32-27)13-31-17-9-8-16(2)23(30)10-17/h4-11,13,36H,3,12,14-15H2,1-2H3/b31-13+
InChiKey: JHXRANSHXKNTBB-IURWMYGYSA-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	FTZ-F1 nuclear receptor-like protein	0.0111	0.1714	0.3008
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0038	0.0433	0.0549
Loa Loa (eye worm)	hypothetical protein	0.0111	0.172	0.172
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0038	0.0433	0.0549
Brugia malayi	Uncoordinated protein 44	0.0015	0.0033	0.0008
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0036	0.0036
Echinococcus granulosus	FTZ F1 alpha	0.0111	0.1714	0.3049
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0028	0.0256	0.0226
Schistosoma mansoni	lamin	0.0028	0.0251	0.039
Brugia malayi	photoreceptor-specific nuclear receptor	0.0111	0.1714	0.1692
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0052	0.0685	0.0733
Plasmodium falciparum	histone acetyltransferase GCN5	0.0038	0.0435	0.0552
Brugia malayi	steroid hormone receptor	0.0111	0.1714	0.1692
Schistosoma mansoni	hormone-sensitive lipase (S09 family)	0.0246	0.4096	0.7271
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0111	0.1714	0.3049
Brugia malayi	acetyltransferase, GNAT family protein	0.0141	0.2246	0.2226
Loa Loa (eye worm)	runx1	0.0065	0.0913	0.0913
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0111	0.1714	0.1714
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0111	0.1714	0.3008
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0028	0.0256	0.0226
Trichomonas vaginalis	conserved hypothetical protein	0.0158	0.2551	1
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0685	0.0685
Schistosoma mansoni	aldehyde dehydrogenase	0.012	0.1882	0.331
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0111	0.1714	0.3008
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0685	0.0685
Echinococcus multilocularis	inositol monophosphatase 1	0.0037	0.0417	0.0741
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0038	0.0433	0.077
Brugia malayi	nuclear receptor NHR-88	0.0052	0.0685	0.0661
Brugia malayi	nuclear receptor NHR-88	0.0111	0.1714	0.1692
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0038	0.0433	0.0031
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0052	0.0685	0.1166
Echinococcus granulosus	ankyrin repeat and death domain containing protein	0.0015	0.0033	0.0059
Brugia malayi	NAD-dependent deacetylase SIRT1	0.0088	0.1316	0.1294
Echinococcus multilocularis	lamin dm0	0.0028	0.0251	0.0447
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0038	0.0433	0.0031
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0035	0.0384	0.0683
Onchocerca volvulus		0.0052	0.0685	0.0733
Brugia malayi	nuclear hormone receptor	0.0111	0.1714	0.1692
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0111	0.1714	0.1692
Mycobacterium ulcerans	thymidylate synthase	0.0332	0.562	1
Brugia malayi	Intermediate filament tail domain containing protein	0.0028	0.0251	0.0226
Mycobacterium leprae	PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE)	0.0332	0.562	1
Schistosoma mansoni	chromatin regulatory protein sir2	0.0088	0.1316	0.2296
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0554	0.0986
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	0.0142	0.2267	0.2247
Schistosoma mansoni	aldehyde dehydrogenase	0.012	0.1882	0.331
Brugia malayi	tailless protein	0.0052	0.0685	0.0661
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.012	0.1882	0.3214
Loa Loa (eye worm)	hypothetical protein	0.0111	0.1714	0.1714
Onchocerca volvulus		0.0028	0.0256	0.025
Brugia malayi	nuclear hormone receptor family member odr-7	0.0052	0.0685	0.0661
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0132	0.0132
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0038	0.0433	0.077
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0052	0.0685	0.0661
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0111	0.1714	0.1692
Echinococcus multilocularis	jun protein	0.0255	0.4264	0.7587
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0052	0.0685	0.0685
Brugia malayi	Death domain containing protein	0.0015	0.0033	0.0008
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0028	0.0256	0.0261
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0111	0.1714	0.1692
Onchocerca volvulus		0.0028	0.0251	0.0245
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0037	0.0417	0.08
Brugia malayi	intermediate filament protein	0.0028	0.0251	0.0226
Schistosoma mansoni	lamin	0.0028	0.0251	0.039
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0111	0.1714	0.1692
Trichomonas vaginalis	chromatin regulatory protein sir2, putative	0.0088	0.1316	0.4215
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0251	0.0251
Echinococcus granulosus	jun protein	0.0255	0.4264	0.7587
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0111	0.1714	0.3008
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0052	0.0685	0.1218
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0015	0.0033	0.0008
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription factor	0.0255	0.4264	0.7587
Mycobacterium ulcerans	aldehyde dehydrogenase	0.012	0.1882	0.319
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0038	0.0433	0.0881
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0028	0.0256	0.0226
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0132	0.0132
Brugia malayi	nuclear hormone receptor	0.0052	0.0685	0.0661
Schistosoma mansoni	retinoic acid receptor RXR	0.0111	0.1714	0.3008
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0111	0.1714	0.3049
Brugia malayi	AMP-binding enzyme family protein	0.0028	0.0256	0.023
Loa Loa (eye worm)	intermediate filament protein	0.0028	0.0251	0.0251
Loa Loa (eye worm)	hypothetical protein	0.0111	0.1714	0.1714
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0384	0.0384
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0795	0.0795
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0132	0.0132
Mycobacterium ulcerans	acyl-CoA synthetase	0.0028	0.0256	0.0226
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0041	0.0495	0.0662
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0123	0.1936	0.3445
Trichomonas vaginalis	ap endonuclease, putative	0.0038	0.0433	0.0076
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0111	0.172	0.172
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	0.0142	0.2267	0.4034
Brugia malayi	AMP-binding enzyme family protein	0.0028	0.0256	0.023
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0111	0.1714	0.1692
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0685	0.0685
Echinococcus granulosus	hormone sensitive lipase	0.0246	0.4096	0.7287
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0111	0.1714	0.1692
Echinococcus multilocularis	muscleblind protein 1	0.0157	0.2535	0.451
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0035	0.0384	0.0683
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0035	0.0384	0.0359
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0111	0.1714	0.3049
Loa Loa (eye worm)	hypothetical protein	0.0157	0.2535	0.2535
Echinococcus granulosus	ecdysone induced protein 78C	0.0111	0.1714	0.3049
Schistosoma mansoni	hypothetical protein	0.0123	0.1936	0.3406
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0554	0.0933
Brugia malayi	exodeoxyribonuclease III family protein	0.0038	0.0433	0.0408
Echinococcus granulosus	GPCR family 2	0.0035	0.0384	0.0683
Echinococcus multilocularis	netrin receptor unc 5	0.0015	0.0033	0.0059
Schistosoma mansoni	ankyrin 23/unc44	0.0015	0.0033	0.000000027759
Echinococcus multilocularis	thymidylate synthase	0.0332	0.562	1
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	0.0332	0.562	1
Schistosoma mansoni	intermediate filament proteins	0.0028	0.0251	0.039
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.0142	0.2267	0.3999
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0111	0.1714	0.3008
Brugia malayi	conserved hypotetical protein	0.0052	0.0685	0.0661
Brugia malayi	latrophilin 2 splice variant baaae	0.0076	0.1101	0.1078
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0052	0.0685	0.1218
Loa Loa (eye worm)	hypothetical protein	0.0248	0.4141	0.4141
Loa Loa (eye worm)	hypothetical protein	0.0157	0.2535	0.2535
Schistosoma mansoni	hypothetical protein	0.0035	0.0384	0.0628
Echinococcus multilocularis	Ankyrin	0.0015	0.0036	0.0063
Echinococcus granulosus	thyroid hormone receptor alpha	0.0052	0.0685	0.1218
Trypanosoma brucei	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0142	0.2267	0.3557
Brugia malayi	AMP-binding enzyme family protein	0.0028	0.0256	0.023
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0052	0.0685	0.1166
Schistosoma mansoni	nuclear hormone receptor	0.0052	0.0685	0.1166
Echinococcus granulosus	muscleblind protein	0.0157	0.2535	0.451
Schistosoma mansoni	nuclear receptor	0.0052	0.0685	0.1166
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0142	0.2267	0.3557
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0123	0.1936	0.3445
Loa Loa (eye worm)	thymidylate synthase	0.0332	0.562	0.562
Loa Loa (eye worm)	hypothetical protein	0.052	0.8914	0.8914
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.0142	0.2267	0.2267
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.0033	0.0348	0.043
Echinococcus multilocularis	ankyrin repeat and death domain containing protein	0.0015	0.0033	0.0059
Schistosoma mansoni	nuclear hormone receptor	0.0052	0.0685	0.1166
Onchocerca volvulus	Bile acid receptor homolog	0.0111	0.1714	0.1892
Brugia malayi	ecdysone receptor	0.0052	0.0685	0.0661
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0685	0.0685
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0041	0.0495	0.0369
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0111	0.1714	0.1692
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0554	0.0933
Brugia malayi	nuclear receptor RXR	0.0052	0.0685	0.0661
Echinococcus multilocularis	musashi	0.0028	0.0251	0.0447
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0037	0.0417	0.0519
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0111	0.1714	0.3049
Schistosoma mansoni	hormone-sensitive lipase (S09 family)	0.0246	0.4096	0.7271
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0141	0.2246	0.3997
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0058	0.0795	0.1414
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0685	0.0685
Toxoplasma gondii	exonuclease III APE	0.0038	0.0433	0.0031
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0041	0.0495	0.0151
Echinococcus multilocularis	GPCR, family 2	0.0035	0.0384	0.0683
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0685	0.0685
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0795	0.0795
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0242	0.4032	0.4032
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0041	0.0495	0.0881
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0111	0.1714	0.1692
Echinococcus multilocularis	NAD dependent deacetylase sirtuin 1	0.0088	0.1316	0.2342
Brugia malayi	Inositol-1	0.0037	0.0417	0.0392
Loa Loa (eye worm)	hypothetical protein	0.0111	0.1714	0.1714
Loa Loa (eye worm)	hypothetical protein	0.0111	0.1714	0.1714
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0111	0.1714	0.1692
Brugia malayi	ecdysteroid receptor	0.0111	0.1714	0.1692
Brugia malayi	thymidylate synthase	0.0332	0.562	0.5609
Echinococcus granulosus	netrin receptor unc 5	0.0015	0.0033	0.0059
Schistosoma mansoni	hypothetical protein	0.0035	0.0384	0.0628
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0038	0.0433	0.0549
Loa Loa (eye worm)	hypothetical protein	0.0076	0.1101	0.1101
Loa Loa (eye worm)	hypothetical protein	0.0111	0.1714	0.1714
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0111	0.1714	0.3049
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0052	0.0685	0.0685
Echinococcus multilocularis	nuclear receptor nhr 48	0.0052	0.0685	0.1218
Brugia malayi	hypothetical protein	0.0052	0.0685	0.0661
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0033	0.0033
Loa Loa (eye worm)	hypothetical protein	0.052	0.8914	0.8914
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0685	0.0685
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0256	0.0256
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0132	0.0132
Schistosoma mansoni	hormone-sensitive lipase (S09 family)	0.0246	0.4096	0.7271
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0052	0.0685	0.1218
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0111	0.1714	0.1714
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0111	0.1714	0.1714
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0052	0.0685	0.1218
Schistosoma mansoni	retinoblastoma-binding protein 4 (rbbp4)	0.0015	0.0036	0.0004
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0037	0.0417	0.03
Schistosoma mansoni	thyroid hormone receptor	0.0234	0.3884	0.6893
Brugia malayi	nuclear receptor RXR	0.0058	0.0795	0.0771
Brugia malayi	Nuclear hormone receptor E75	0.0052	0.0685	0.0661
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0015	0.0033	0.0033
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0685	0.0685
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0137	0.2177	0.3873
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0111	0.1714	0.3049
Schistosoma mansoni	zinc finger protein	0.0052	0.0685	0.1166
Trichomonas vaginalis	chromatin regulatory protein sir2, putative	0.0088	0.1316	0.4215
Echinococcus multilocularis	FTZ F1 alpha	0.0111	0.1714	0.3049
Onchocerca volvulus	Protein ultraspiracle homolog	0.0111	0.1714	0.1892
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.008	0.1178	0.2097
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.0332	0.562	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0058	0.0795	0.0771
Schistosoma mansoni	lozenge	0.0065	0.0913	0.1575
Brugia malayi	bZIP transcription factor family protein	0.0255	0.4264	0.4249
Giardia lamblia	Histone acetyltransferase GCN5	0.0038	0.0435	0.0019
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0052	0.0685	0.0661
Brugia malayi	hypothetical protein	0.008	0.1178	0.1155
Echinococcus multilocularis	lamin	0.0028	0.0251	0.0447
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0111	0.1714	0.3008
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	0.0332	0.562	1
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0052	0.0685	0.1218
Schistosoma mansoni	hypothetical protein	0.0076	0.1101	0.1912
Brugia malayi	hypothetical protein	0.052	0.8914	0.8912
Brugia malayi	hypothetical protein	0.0058	0.0795	0.0771
Schistosoma mansoni	ap endonuclease	0.0038	0.0433	0.0715
Trichomonas vaginalis	chromatin regulatory protein sir2, putative	0.0088	0.1316	0.4215
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0052	0.0685	0.1218
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0058	0.0795	0.1363
Loa Loa (eye worm)	hypothetical protein	0.0111	0.1714	0.1714
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	0.0142	0.2267	0.4034
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0035	0.0384	0.0384
Schistosoma mansoni	ap endonuclease	0.0038	0.0433	0.0715
Echinococcus granulosus	NAD dependent deacetylase sirtuin 1	0.0088	0.1316	0.2342
Brugia malayi	Protein kinase domain containing protein	0.0015	0.0033	0.0008
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0058	0.0795	0.1363
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0021	0.0132	0.0036
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0685	0.0685
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0256	0.0256
Brugia malayi	hypothetical protein	0.0058	0.0795	0.0771
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0035	0.0384	0.0683
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0111	0.172	0.1698
Loa Loa (eye worm)	hypothetical protein	0.0076	0.1112	0.1112
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.012	0.1882	0.3349
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.0332	0.562	1
Giardia lamblia	NAD-dependent histone deacetylase Sir2	0.0088	0.1316	1
Echinococcus multilocularis	ecdysone induced protein 78C	0.0111	0.1714	0.3049
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0038	0.0433	0.0031
Echinococcus granulosus	death domain containing protein	0.0015	0.0033	0.0059
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0554	0.0933
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0111	0.1714	0.3049
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0058	0.0795	0.0795
Mycobacterium tuberculosis	Hypothetical protein	0.0158	0.2551	0.4428
Loa Loa (eye worm)	hypothetical protein	0.0088	0.1316	0.1316
Schistosoma mansoni	RAR-like nuclear receptor	0.0111	0.1714	0.3008
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.012	0.1882	0.3349
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.0332	0.562	1
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0035	0.0384	0.0683
Echinococcus granulosus	Basic leucine zipper bZIP transcription factor	0.0255	0.4264	0.7587
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0111	0.1714	0.1714
Schistosoma mansoni	hypothetical protein	0.0208	0.3421	0.6064
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0111	0.1714	0.1714
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0141	0.2246	0.3961
Loa Loa (eye worm)	steroid hormone receptor	0.0111	0.1714	0.1714
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0052	0.0685	0.1218
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.0554	0.0554
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0242	0.0242
Schistosoma mansoni	transcription factor LCR-F1	0.008	0.1178	0.2049
Leishmania major	tyrosyl-DNA phosphodiesterase 1	0.0142	0.2267	0.375
Entamoeba histolytica	hypothetical protein	0.008	0.1178	0.4587
Brugia malayi	hypothetical protein	0.0201	0.3298	0.3281
Onchocerca volvulus		0.0332	0.562	0.6291
Entamoeba histolytica	hypothetical protein	0.008	0.1178	0.4587
Entamoeba histolytica	hypothetical protein	0.008	0.1178	0.4587
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0132	0.0132
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.0554	0.053
Brugia malayi	nuclear receptor NHR-67	0.0052	0.0685	0.0661
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0111	0.1714	0.3049
Brugia malayi	orphan nuclear receptor NR2E1	0.0052	0.0685	0.0661
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0685	0.0685
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0795	0.0795
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0111	0.1714	0.3049
Loa Loa (eye worm)	hypothetical protein	0.0111	0.1714	0.1714
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0021	0.0132	0.5
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0234	0.3884	0.6911
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0058	0.0795	0.1414
Loa Loa (eye worm)	inositol-1	0.0037	0.0417	0.0417
Loa Loa (eye worm)	nuclear hormone receptor	0.0052	0.0685	0.0685
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0111	0.172	0.1698
Echinococcus granulosus	intermediate filament protein	0.0028	0.0251	0.0447
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.008	0.1178	0.2097
Loa Loa (eye worm)	hypothetical protein	0.0246	0.4096	0.4096
Brugia malayi	Nuclear hormone receptor-like 1	0.0058	0.0795	0.0771
Brugia malayi	Steroid receptor seven-up type 2	0.0111	0.1714	0.1692
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0038	0.0433	0.033
Echinococcus granulosus	inositol monophosphatase 1	0.0037	0.0417	0.0741
Echinococcus multilocularis	muscleblind protein	0.0157	0.2535	0.451
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0685	0.0685
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0111	0.1714	0.1692
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0111	0.1714	0.3049
Entamoeba histolytica	tyrosyl-DNA phosphodiesterase, putative	0.0142	0.2267	1
Schistosoma mansoni	hypothetical protein	0.0035	0.0384	0.0628
Onchocerca volvulus		0.052	0.8914	1
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0685	0.0685
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.0332	0.562	1
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0038	0.0433	0.0433
Brugia malayi	hypothetical protein	0.0052	0.0685	0.0661
Loa Loa (eye worm)	acetyltransferase	0.0141	0.2246	0.2246
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0052	0.0685	0.0733
Echinococcus multilocularis	nuclear factor of activated T cells 5	0.0078	0.1136	0.2021
Onchocerca volvulus		0.0052	0.0685	0.0733
Onchocerca volvulus		0.0028	0.0251	0.0245
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0142	0.2267	0.3557
Echinococcus granulosus	lamin dm0	0.0028	0.0251	0.0447
Onchocerca volvulus		0.0201	0.3298	0.3676
Schistosoma mansoni	hypothetical protein	0.008	0.1178	0.2049
Entamoeba histolytica	hypothetical protein	0.008	0.1178	0.4587
Loa Loa (eye worm)	hypothetical protein	0.0111	0.1714	0.1714
Schistosoma mansoni	thyroid hormone receptor	0.0234	0.3884	0.6893
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0554	0.0986
Echinococcus granulosus	nuclear receptor nhr 48	0.0052	0.0685	0.1218
Echinococcus multilocularis	Protein lozenge	0.0065	0.0913	0.1625
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.0332	0.562	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0554	0.0986
Mycobacterium ulcerans	aldehyde dehydrogenase	0.012	0.1882	0.319
Trichomonas vaginalis	ap endonuclease, putative	0.0038	0.0433	0.0076
Schistosoma mansoni	inositol monophosphatase	0.0037	0.0417	0.0686
Mycobacterium ulcerans	acyl-CoA synthetase	0.0028	0.0256	0.0226
Mycobacterium leprae	possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ).	0.0033	0.0348	0.0173
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0111	0.1714	0.3049
Entamoeba histolytica	acetyltransferase, GNAT family	0.0038	0.0435	0.089
Trichomonas vaginalis	chromatin regulatory protein sir2, putative	0.0088	0.1316	0.4215
Schistosoma mansoni	inositol monophosphatase	0.0037	0.0417	0.0686
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0795	0.0795
Schistosoma mansoni	hypothetical protein	0.0035	0.0384	0.0628
Echinococcus multilocularis	hormone sensitive lipase	0.0246	0.4096	0.7287
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0111	0.1714	0.1692
Brugia malayi	Muscleblind-like protein	0.0157	0.2535	0.2515
Mycobacterium ulcerans	acyl-CoA synthetase	0.0028	0.0256	0.0226
Brugia malayi	Latrophilin receptor protein 2	0.0035	0.0384	0.0359
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0052	0.0685	0.1218
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0038	0.0433	0.5
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0038	0.0433	0.0583
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0795	0.0795
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.012	0.1882	0.3032
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0041	0.0495	0.0151
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0038	0.0433	1
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0111	0.1714	0.3008
Mycobacterium ulcerans	hypothetical protein	0.0028	0.0256	0.0226
Brugia malayi	Nuclear hormone receptor-like 1	0.0111	0.1714	0.1692
Schistosoma mansoni	nuclear receptor	0.0052	0.0685	0.1166
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0111	0.1714	0.1692
Schistosoma mansoni	nuclear hormone receptor	0.0111	0.1714	0.3008
Onchocerca volvulus		0.0111	0.1714	0.1892
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0111	0.1714	0.1714
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0111	0.1714	0.1714
Loa Loa (eye worm)	DR-78	0.0052	0.0685	0.0685
Loa Loa (eye worm)	hypothetical protein	0.0581	1	1
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0111	0.1714	0.3049
Brugia malayi	Nuclear hormone receptor E75	0.0052	0.0685	0.0661
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0041	0.0495	0.0369
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0111	0.1714	0.1692
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0256	0.0256
Echinococcus granulosus	thymidylate synthase	0.0332	0.562	1
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0028	0.0256	0.0226
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase, putative	0.0158	0.2551	0.4102
Echinococcus granulosus	lamin	0.0028	0.0251	0.0447
Echinococcus granulosus	nuclear factor of activated T cells 5	0.0078	0.1136	0.2021
Schistosoma mansoni	coup transcription factor	0.0111	0.1714	0.3008
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0052	0.0685	0.1218
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0685	0.0685
Echinococcus granulosus	Ankyrin	0.0015	0.0036	0.0063
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.0332	0.562	1
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0028	0.0251	0.0251
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0028	0.0256	0.0261
Brugia malayi	follicle stimulating hormone receptor	0.0242	0.4032	0.4017
Brugia malayi	hypothetical protein	0.0158	0.2551	0.2532
Echinococcus multilocularis	transcription factor Dp 1	0.0082	0.1214	0.216
Mycobacterium ulcerans	aldehyde dehydrogenase	0.012	0.1882	0.319
Schistosoma mansoni	jun-related protein	0.0208	0.3421	0.6064
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0554	0.0986
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0111	0.1714	0.1892
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0111	0.1714	0.3049
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0015	0.0026	0.0026
Schistosoma mansoni	nuclear receptor nhr-48	0.0052	0.0685	0.1166
Echinococcus granulosus	transcription factor Dp 1	0.0082	0.1214	0.216
Toxoplasma gondii	aldehyde dehydrogenase	0.012	0.1882	0.2817

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (ADMET)		Toxicity in mouse C26 cells implanted in C57BL/6 mouse assessed as survival at 4 mg/kg, sc QD for 5 days	ChEMBL.	18207748
Activity (ADMET)		Toxicity in mouse C26 cells implanted in C57BL/6 mouse assessed as survival at 1.5 mg/kg, sc QD for 5 days	ChEMBL.	18207748
Activity (ADMET)	0	Toxicity in mouse C26 cells implanted in C57BL/6 mouse assessed as survival at 1.5 mg/kg, sc QD for 5 days	ChEMBL.	18207748
Activity (ADMET)	0	Toxicity in mouse C26 cells implanted in C57BL/6 mouse assessed as survival at 4 mg/kg, sc QD for 5 days	ChEMBL.	18207748
IC50 (functional)	= 1.8861	Antitumor activity against human A549 cells after 4 hrs by MTT assay	ChEMBL.	18207748
IC50 (functional)	= 0.013 uM	Antitumor activity against human A549 cells after 4 hrs by MTT assay	ChEMBL.	18207748
IC50 (functional)	= 0.013 uM	Antitumor activity against human A549 cells after 4 hrs by MTT assay	ChEMBL.	18207748
IC50 (functional)	= 0.02 uM	Antitumor activity against human LOVO cells after 4 hrs by MTT assay	ChEMBL.	18207748
IC50 (functional)	= 0.02 uM	Antitumor activity against human LOVO cells after 4 hrs by MTT assay	ChEMBL.	18207748
IC50 (functional)	= 1.344 uM	Antitumor activity against human MCF7 cells after 4 hrs by MTT assay	ChEMBL.	18207748
IC50 (functional)	= 1.344 uM	Antitumor activity against human MCF7 cells after 4 hrs by MTT assay	ChEMBL.	18207748
Inhibition (functional)	= 21.29 %	Antitumor activity against mouse C26 cells implanted in C57BL/6 mouse at 1 mg/kg, sc QD for 5 days	ChEMBL.	18207748
Inhibition (functional)	= 28.98 %	Antitumor activity against mouse C26 cells implanted in C57BL/6 mouse at 2 mg/kg, sc QD for 5 days	ChEMBL.	18207748
Inhibition (functional)	= 30.99 %	Antitumor activity against mouse C26 cells implanted in C57BL/6 mouse at 4 mg/kg, sc QD for 5 days	ChEMBL.	18207748
Log IC50 (functional)	= 1.8861	Antitumor activity against human A549 cells after 4 hrs by MTT assay	ChEMBL.	18207748

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	18207748

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: CHEMBL255217

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 518419