TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 448.506 | Formula: C24H32O8
H donors: 2 H acceptors: 5 LogP: 1.17 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CC(=O)O[C@H]1CC[C@@]([C@@H]2[C@]31CO[C@]([C@H]2O)([C@]12[C@H]3CC[C@H](C1)C(=C)C2=O)O)(C)COC(=O)C
InChi: 1S/C24H32O8/c1-12-15-5-6-16-22-11-31-24(29,23(16,9-15)19(12)27)20(28)18(22)21(4,10-30-13(2)25)8-7-17(22)32-14(3)26/h15-18,20,28-29H,1,5-11H2,2-4H3/t15-,16+,17+,18-,20+,21+,22-,23+,24-/m1/s1
InChiKey: IYWHJYKWKCMAGI-LTDHTRFUSA-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
Onchocerca volvulus		0.0099	0.0408	0.2755
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	0.012	0.012
Plasmodium falciparum	importin beta, putative	0.0031	0.0074	0.0074
Brugia malayi	Ets-domain containing protein	0.0077	0.0297	0.0297
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.0076	0.0076
Loa Loa (eye worm)	hypothetical protein	0.007	0.0266	0.0266
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.004	0.0118	0.0118
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0021	0.0025	0.0025
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0602	0.2862	0.283
Plasmodium vivax	hypothetical protein, conserved	0.007	0.0266	0.0266
Brugia malayi	beta-lactamase family protein	0.007	0.0266	0.0266
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0227	0.0227
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0227	0.0227
Loa Loa (eye worm)	hypothetical protein	0.03	0.1386	0.1386
Loa Loa (eye worm)	transcription factor SMAD2	0.0361	0.1684	0.1684
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0095	0.0386	0.0386
Treponema pallidum	exodeoxyribonuclease (exoA)	0.004	0.0118	0.0265
Schistosoma mansoni	smad1 5 8 and	0.0025	0.0043	0.0043
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.003	0.0071	0.0071
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0073	0.0281	0.0281
Trypanosoma brucei	DNA polymerase kappa, putative	0.0028	0.0059	0.0059
Trichomonas vaginalis	D-aminoacylase, putative	0.007	0.0266	0.0221
Schistosoma mansoni	hypothetical protein	0.0095	0.0386	0.0386
Trypanosoma cruzi	prenyl protein specific carboxyl methyltransferase, putative	0.2063	1	1
Trypanosoma brucei	unspecified product	0.0028	0.0059	0.0059
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0021	0.0025	0.0025
Echinococcus multilocularis		0.2063	1	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	0.012	0.012
Loa Loa (eye worm)	beta-lactamase	0.007	0.0266	0.0266
Trypanosoma brucei	DNA polymerase kappa, putative	0.0028	0.0059	0.0059
Schistosoma mansoni	aminoadipate-semialdehyde dehydrogenase	0.0088	0.0351	0.0351
Brugia malayi	Steroid receptor seven-up type 2	0.0021	0.0025	0.0025
Echinococcus multilocularis	geminin	0.1022	0.4914	0.4914
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.0076	0.0076
Entamoeba histolytica	hypothetical protein	0.0073	0.0281	0.0238
Echinococcus granulosus	tar DNA binding protein	0.0062	0.0227	0.0227
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0602	0.2862	0.283
Brugia malayi	MH2 domain containing protein	0.0361	0.1684	0.1684
Echinococcus granulosus	dna polymerase kappa	0.004	0.012	0.012
Echinococcus multilocularis	microtubule associated protein 2	0.0694	0.3314	0.3314
Loa Loa (eye worm)	hypothetical protein	0.0095	0.0386	0.0386
Brugia malayi	hypothetical protein	0.0073	0.0281	0.0281
Schistosoma mansoni	thyroid hormone receptor	0.0021	0.0025	0.0025
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0143	0.0143
Entamoeba histolytica	prenyl cysteine carboxyl methyltransferase, putative	0.2063	1	1
Brugia malayi	jmjC domain containing protein	0.0059	0.0212	0.0212
Mycobacterium tuberculosis	Conserved hypothetical membrane protein	0.0901	0.4322	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0062	0.0227	0.0227
Mycobacterium tuberculosis	Conserved protein	0.007	0.0266	0.052
Schistosoma mansoni	ap endonuclease	0.004	0.0118	0.0118
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0043	0.0131	0.0131
Schistosoma mansoni	ets-related	0.0233	0.1059	0.1059
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0602	0.2862	0.283
Schistosoma mansoni	hypothetical protein	0.0095	0.0386	0.0386
Mycobacterium ulcerans	DNA polymerase IV	0.004	0.012	0.0179
Leishmania major	importin beta-1 subunit, putative	0.0025	0.0045	0.0045
Trypanosoma brucei	hypothetical protein, conserved	0.0025	0.0043	0.0043
Echinococcus granulosus	ecdysone induced protein 78C	0.0021	0.0025	0.0025
Loa Loa (eye worm)	hypothetical protein	0.0308	0.1425	0.1425
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0031	0.0076	0.0076
Echinococcus multilocularis	dna polymerase eta	0.0067	0.0248	0.0248
Trypanosoma brucei	unspecified product	0.004	0.012	0.012
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.1651	0.7987	0.7987
Brugia malayi	RNA binding protein	0.0062	0.0227	0.0227
Loa Loa (eye worm)	hypothetical protein	0.0308	0.1425	0.1425
Schistosoma mansoni	hypothetical protein	0.0073	0.0281	0.0281
Schistosoma mansoni	importin beta-1	0.0031	0.0074	0.0074
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0143	0.0143
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0227	0.0227
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0061	0.0221	0.0221
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0021	0.0025	0.0025
Trypanosoma cruzi	hypothetical protein, conserved	0.007	0.0266	0.0266
Trypanosoma brucei	DNA polymerase IV, putative	0.004	0.012	0.012
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0021	0.0025	0.0025
Brugia malayi	MH1 domain containing protein	0.0025	0.0043	0.0043
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0021	0.0025	0.0025
Schistosoma mansoni	hypothetical protein	0.0095	0.0386	0.0386
Toxoplasma gondii	ABC1 family protein	0.007	0.0266	0.0266
Loa Loa (eye worm)	hypothetical protein	0.007	0.0266	0.0266
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0061	0.0221	0.0416
Entamoeba histolytica	hypothetical protein	0.0025	0.0045	0.0002
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0021	0.0025	0.0025
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.0076	0.0076
Echinococcus granulosus	microtubule associated protein 2	0.0694	0.3314	0.3314
Echinococcus granulosus	beta LACTamase domain containing family member	0.007	0.0266	0.0266
Schistosoma mansoni	coup transcription factor	0.0021	0.0025	0.0025
Echinococcus granulosus	histone lysine methyltransferase setb	0.0031	0.0076	0.0076
Echinococcus multilocularis	lysine specific demethylase 5A	0.0059	0.0212	0.0212
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.004	0.0118	0.0118
Schistosoma mansoni	thyroid hormone receptor	0.0021	0.0025	0.0025
Echinococcus granulosus	Smad4	0.0025	0.0043	0.0043
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0021	0.0025	0.0025
Trichomonas vaginalis	ap endonuclease, putative	0.004	0.0118	0.0073
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	0.012	0.012
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0021	0.0025	0.0025
Brugia malayi	MH1 domain containing protein	0.0025	0.0043	0.0043
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0602	0.2862	0.283
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0031	0.0076	0.0076
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.004	0.0118	0.0118
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0061	0.0221	0.0416
Trypanosoma cruzi	DNA polymerase kappa, putative	0.004	0.012	0.012
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0021	0.0025	0.0025
Mycobacterium tuberculosis	Conserved hypothetical protein	0.004	0.012	0.0179
Toxoplasma gondii	aldehyde dehydrogenase	0.0061	0.0221	0.0221
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0025	0.0025
Brugia malayi	hypothetical protein	0.0487	0.2301	0.2301
Mycobacterium tuberculosis	Probable lipase LipE	0.007	0.0266	0.052
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0025	0.0045	0.0045
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0021	0.0025	0.0025
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0031	0.0076	0.0076
Loa Loa (eye worm)	hypothetical protein	0.0088	0.0351	0.0351
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0021	0.0025	0.0025
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0021	0.0025	0.0025
Loa Loa (eye worm)	fli-1 protein	0.0233	0.1059	0.1059
Schistosoma mansoni	gabp alpha	0.0077	0.0297	0.0297
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0061	0.0221	0.0416
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0061	0.0221	0.0221
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.004	0.012	0.012
Plasmodium vivax	importin-beta 2, putative	0.0031	0.0074	0.0074
Loa Loa (eye worm)	MH2 domain-containing protein	0.0361	0.1684	0.1684
Schistosoma mansoni	terminal deoxycytidyl transferase	0.004	0.012	0.012
Echinococcus multilocularis	importin subunit beta 1	0.0031	0.0074	0.0074
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0021	0.0025	0.0025
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.004	0.012	0.0179
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0025	0.0043	0.0043
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0021	0.0025	0.0025
Brugia malayi	MH2 domain containing protein	0.0025	0.0043	0.0043
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0021	0.0025	0.0025
Echinococcus granulosus	protein S isoprenylcysteine O methyltransferase	0.2063	1	1
Brugia malayi	aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase	0.0088	0.0351	0.0351
Loa Loa (eye worm)	MH1 domain-containing protein	0.0025	0.0043	0.0043
Echinococcus granulosus	smad	0.0025	0.0043	0.0043
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0021	0.0025	0.0025
Mycobacterium leprae	Probable lipase LipE	0.007	0.0266	0.1691
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0602	0.2862	0.283
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	0.012	0.012
Trypanosoma brucei	unspecified product	0.0028	0.0059	0.0059
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0025	0.0025
Loa Loa (eye worm)	hypothetical protein	0.007	0.0266	0.0266
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0021	0.0025	0.0025
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.007	0.0266	0.052
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0025	0.0025
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0021	0.0025	0.0025
Brugia malayi	ecdysteroid receptor	0.0021	0.0025	0.0025
Loa Loa (eye worm)	jmjC domain-containing protein	0.0059	0.0212	0.0212
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0294	0.1359	1
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0021	0.0025	0.0025
Plasmodium vivax	holo-[acyl-carrier-protein] synthase, putative	0.0025	0.0043	0.0043
Schistosoma mansoni	survival motor neuron protein	0.0099	0.0408	0.0408
Brugia malayi	photoreceptor-specific nuclear receptor	0.0021	0.0025	0.0025
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0021	0.0025	0.0025
Brugia malayi	Ets-domain containing protein	0.0077	0.0297	0.0297
Echinococcus granulosus	snurportin 1	0.033	0.1533	0.1533
Echinococcus granulosus	survival motor neuron protein 1	0.0487	0.2301	0.2301
Schistosoma mansoni	microtubule-associated protein tau	0.0694	0.3314	0.3314
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	0.012	0.012
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.004	0.0118	0.0118
Mycobacterium tuberculosis	Probable hydrolase	0.007	0.0266	0.052
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0021	0.0025	0.0025
Echinococcus granulosus	FTZ F1 alpha	0.0021	0.0025	0.0025
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0095	0.0386	0.0386
Leishmania major	prenyl protein specific carboxyl methyltransferase, putative	0.2063	1	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0143	0.0143
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.007	0.0266	0.0266
Echinococcus multilocularis	ecdysone induced protein 78C	0.0021	0.0025	0.0025
Trypanosoma cruzi	DNA polymerase kappa, putative	0.004	0.012	0.012
Schistosoma mansoni	nuclear hormone receptor	0.0021	0.0025	0.0025
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0031	0.0076	0.0076
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0021	0.0025	0.0025
Echinococcus multilocularis	FTZ F1 alpha	0.0021	0.0025	0.0025
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0025	0.0043	0.0043
Mycobacterium ulcerans	hypothetical protein	0.0901	0.4322	1
Echinococcus granulosus	mothers against decapentaplegic 5	0.0025	0.0043	0.0043
Trypanosoma brucei	DNA polymerase kappa, putative	0.0028	0.0059	0.0059
Trypanosoma brucei	DNA polymerase eta, putative	0.0067	0.0248	0.0248
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0025	0.0025
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.007	0.0266	0.0266
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0043	0.0131	0.0131
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0145	0.0631	0.0631
Entamoeba histolytica	hypothetical protein	0.0073	0.0281	0.0238
Schistosoma mansoni	protein-s-isoprenylcysteine o-methyltransferase	0.2063	1	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0025	0.0043	0.0043
Trichomonas vaginalis	esterase, putative	0.007	0.0266	0.0221
Leishmania major	hypothetical protein, conserved	0.007	0.0266	0.0266
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0073	0.0281	0.0281
Leishmania major	phosphopantetheinyl transferase-like protein	0.0025	0.0043	0.0043
Schistosoma mansoni	ap endonuclease	0.004	0.0118	0.0118
Loa Loa (eye worm)	hypothetical protein	0.0067	0.0248	0.0248
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.007	0.0266	0.0266
Schistosoma mansoni	aldehyde dehydrogenase	0.0061	0.0221	0.0221
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0227	0.0227
Leishmania major	DNA polymerase kappa, putative	0.004	0.012	0.012
Echinococcus multilocularis	tar DNA binding protein	0.0062	0.0227	0.0227
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0021	0.0025	0.0025
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0025	0.0025
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0043	0.0131	0.0086
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0021	0.0025	0.0025
Echinococcus multilocularis	muscleblind protein	0.0308	0.1425	0.1425
Loa Loa (eye worm)	acetyltransferase	0.0145	0.0631	0.0631
Brugia malayi	MH2 domain containing protein	0.0025	0.0043	0.0043
Echinococcus granulosus	lysine specific demethylase 5A	0.0059	0.0212	0.0212
Treponema pallidum	fructose-bisphosphate aldolase	0.0602	0.2862	1
Toxoplasma gondii	HEAT repeat-containing protein	0.0031	0.0074	0.0074
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0021	0.0025	0.0025
Trypanosoma brucei	hypothetical protein, conserved	0.007	0.0266	0.0266
Echinococcus granulosus	geminin	0.1022	0.4914	0.4914
Schistosoma mansoni	aldehyde dehydrogenase	0.0061	0.0221	0.0221
Loa Loa (eye worm)	hypothetical protein	0.007	0.0266	0.0266
Echinococcus multilocularis	beta LACTamase domain containing family member	0.007	0.0266	0.0266
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.004	0.0118	0.0118
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.007	0.0266	0.052
Chlamydia trachomatis	holo [acyl-carrier protein] synthase	0.0025	0.0043	0.5
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0025	0.0025
Trichomonas vaginalis	D-aminoacylase, putative	0.007	0.0266	0.0221
Brugia malayi	beta-lactamase family protein	0.007	0.0266	0.0266
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	0.012	0.012
Giardia lamblia	DINP protein human, muc B family	0.004	0.012	0.0006
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0025	0.0025
Entamoeba histolytica	deoxycytidyl transferase, putative	0.004	0.012	0.0077
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0021	0.0025	0.0025
Mycobacterium tuberculosis	Conserved protein	0.007	0.0266	0.052
Loa Loa (eye worm)	hypothetical protein	0.007	0.0266	0.0266
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0243	0.0243
Echinococcus granulosus	dna polymerase eta	0.0067	0.0248	0.0248
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.004	0.0118	0.0118
Loa Loa (eye worm)	Smad1	0.0025	0.0043	0.0043
Plasmodium vivax	protein-S-isoprenylcysteine O-methyltransferase, putative	0.2063	1	1
Brugia malayi	steroid hormone receptor	0.0021	0.0025	0.0025
Plasmodium vivax	SET domain protein, putative	0.0031	0.0076	0.0076
Trypanosoma cruzi	prenyl protein specific carboxyl methyltransferase, putative	0.2063	1	1
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0099	0.0408	0.0408
Schistosoma mansoni	hypothetical protein	0.0205	0.0923	0.0923
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0143	0.0143
Onchocerca volvulus		0.0088	0.0351	0.2342
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0294	0.1359	0.3075
Plasmodium falciparum	protein-S-isoprenylcysteine O-methyltransferase, putative	0.2063	1	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0602	0.2862	0.283
Echinococcus granulosus	muscleblind protein	0.0308	0.1425	0.1425
Onchocerca volvulus		0.007	0.0266	0.1732
Mycobacterium tuberculosis	Probable lipase LipD	0.007	0.0266	0.052
Trypanosoma cruzi	DNA polymerase eta, putative	0.0039	0.0113	0.0113
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0025	0.0025
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.0143	0.0143
Loa Loa (eye worm)	TAR-binding protein	0.0062	0.0227	0.0227
Loa Loa (eye worm)	hypothetical protein	0.0487	0.2301	0.2301
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0021	0.0025	0.0025
Loa Loa (eye worm)	D-ets-4 DNA binding domain-containing protein	0.0077	0.0297	0.0297
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0061	0.0221	0.0416
Echinococcus multilocularis	dna polymerase kappa	0.004	0.012	0.012
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0021	0.0025	0.0025
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.004	0.012	0.012
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0043	0.0131	0.0131
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0143	0.0143
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.007	0.0266	0.052
Trichomonas vaginalis	penicillin-binding protein, putative	0.007	0.0266	0.0221
Toxoplasma gondii	4'-phosphopantetheinyl transferase domain-containing protein	0.0025	0.0043	0.0043
Brugia malayi	Latrophilin receptor protein 2	0.0095	0.0386	0.0386
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0021	0.0025	0.0025
Brugia malayi	Fli-1 protein	0.0233	0.1059	0.1059
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0095	0.0386	0.0386
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0448	0.2113	0.4836
Loa Loa (eye worm)	hypothetical protein	0.0205	0.0923	0.0923
Echinococcus granulosus	L aminoadipate semialdehyde	0.0088	0.0351	0.0351
Brugia malayi	jmjC domain containing protein	0.0059	0.0212	0.0212
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.004	0.012	0.012
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.03	0.1386	0.1386
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0061	0.0221	0.0221
Echinococcus granulosus	GPCR family 2	0.0095	0.0386	0.0386
Trypanosoma cruzi	DNA polymerase kappa, putative	0.004	0.012	0.012
Loa Loa (eye worm)	RNA binding protein	0.0062	0.0227	0.0227
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0602	0.2862	0.2831
Brugia malayi	Muscleblind-like protein	0.0308	0.1425	0.1425
Echinococcus multilocularis	survival motor neuron protein 1	0.0487	0.2301	0.2301
Brugia malayi	Importin beta-1 subunit	0.0031	0.0074	0.0074
Trypanosoma brucei	DNA polymerase IV, putative	0.004	0.012	0.012
Trichomonas vaginalis	set domain proteins, putative	0.0249	0.1141	0.1101
Plasmodium falciparum	holo-[acyl-carrier-protein] synthase, putative	0.0025	0.0043	0.0043
Giardia lamblia	Fructose-bisphosphate aldolase	0.0602	0.2862	0.278
Brugia malayi	RNA recognition motif domain containing protein	0.0062	0.0227	0.0227
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.004	0.0118	0.0004
Brugia malayi	Pre-SET motif family protein	0.0031	0.0076	0.0076
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0021	0.0025	0.0025
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0143	0.0143
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.004	0.012	0.012
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.0143	0.0143
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0021	0.0025	0.0025
Trichomonas vaginalis	penicillin-binding protein, putative	0.007	0.0266	0.0221
Plasmodium falciparum	histone acetyltransferase GCN5	0.0039	0.0114	0.0114
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0021	0.0025	0.0025
Schistosoma mansoni	transcription factor LCR-F1	0.0073	0.0281	0.0281
Trypanosoma brucei	DNA polymerase IV, putative	0.004	0.012	0.012
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0145	0.0631	0.0631
Echinococcus multilocularis	GPCR, family 2	0.0095	0.0386	0.0386
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.004	0.0118	0.0118
Schistosoma mansoni	RAR-like nuclear receptor	0.0021	0.0025	0.0025
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0025	0.0043	0.0043
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0095	0.0386	0.0386
Schistosoma mansoni	smad	0.0025	0.0043	0.0043
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0143	0.0143
Brugia malayi	nuclear hormone receptor	0.0021	0.0025	0.0025
Mycobacterium ulcerans	esterase/lipase LipP	0.007	0.0266	0.052
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0602	0.2862	0.2831
Echinococcus multilocularis	L aminoadipate semialdehyde	0.0088	0.0351	0.0351
Brugia malayi	Nuclear hormone receptor-like 1	0.0021	0.0025	0.0025
Brugia malayi	latrophilin 2 splice variant baaae	0.0205	0.0923	0.0923
Schistosoma mansoni	Smad4	0.0025	0.0043	0.0043
Toxoplasma gondii	ImpB/MucB/SamB family protein	0.0039	0.0113	0.0113
Toxoplasma gondii	isoprenylcysteine carboxyl methyltransferase (icmt) family protein	0.2063	1	1
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0021	0.0025	0.0025
Echinococcus multilocularis	smad	0.0025	0.0043	0.0043
Echinococcus multilocularis	muscleblind protein 1	0.0308	0.1425	0.1425
Brugia malayi	ImpB/MucB/SamB family protein	0.004	0.012	0.012
Brugia malayi	TAR-binding protein	0.0062	0.0227	0.0227
Trichomonas vaginalis	protein-S isoprenylcysteine O-methyltransferase, putative	0.2063	1	1
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0059	0.0212	0.0212
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0294	0.1359	0.3075
Echinococcus granulosus	importin subunit beta 1	0.0031	0.0074	0.0074
Mycobacterium tuberculosis	Conserved protein	0.007	0.0266	0.052
Trichomonas vaginalis	ap endonuclease, putative	0.004	0.0118	0.0073
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0021	0.0025	0.0025
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.004	0.0118	0.0175
Mycobacterium ulcerans	hypothetical protein	0.007	0.0266	0.052
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0021	0.0025	0.0025
Echinococcus multilocularis	snurportin 1	0.033	0.1533	0.1533
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	0.012	0.012
Brugia malayi	Pre-SET motif family protein	0.0219	0.0993	0.0993
Brugia malayi	nuclear receptor NHR-88	0.0021	0.0025	0.0025
Brugia malayi	acetyltransferase, GNAT family protein	0.0145	0.0631	0.0631
Trypanosoma brucei	importin beta-1 subunit, putative	0.0031	0.0074	0.0074
Brugia malayi	Smad1	0.0025	0.0043	0.0043
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.004	0.0118	0.0075
Mycobacterium ulcerans	lipase LipD	0.007	0.0266	0.052
Onchocerca volvulus		0.007	0.0266	0.1732
Giardia lamblia	Isoprenylcysteine carboxyl methyltransferase	0.2063	1	1
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0095	0.0386	0.0386
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0021	0.0025	0.0025
Onchocerca volvulus		0.0031	0.0076	0.0373
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0021	0.0025	0.0025
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0227	0.0227
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.004	0.0118	0.0118
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0025	0.0043	0.0043
Trypanosoma cruzi	hypothetical protein, conserved	0.007	0.0266	0.0266
Loa Loa (eye worm)	protein-S isoprenylcysteine O-methyltransferase	0.2063	1	1
Leishmania major	DNA polymerase eta, putative	0.0067	0.0248	0.0248
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0043	0.0131	0.0086
Brugia malayi	hypothetical protein	0.0306	0.1417	0.1417
Brugia malayi	exodeoxyribonuclease III family protein	0.004	0.0118	0.0118
Schistosoma mansoni	smad1 5 8 and	0.0025	0.0043	0.0043
Schistosoma mansoni	hypothetical protein	0.1022	0.4914	0.4914
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.007	0.0266	0.052
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	0.012	0.012
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0021	0.0025	0.0025
Brugia malayi	Calcitonin receptor-like protein seb-1	0.03	0.1386	0.1386
Entamoeba histolytica	hypothetical protein	0.0073	0.0281	0.0238
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0076	0.0076
Toxoplasma gondii	4'-phosphopantetheinyl transferase superfamily protein	0.0025	0.0043	0.0043
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.004	0.012	0.0075
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.004	0.012	0.012
Brugia malayi	ImpB/MucB/SamB family protein	0.0067	0.0248	0.0248
Trichomonas vaginalis	protein-S isoprenylcysteine O-methyltransferase, putative	0.2063	1	1
Loa Loa (eye worm)	hypothetical protein	0.007	0.0266	0.0266
Onchocerca volvulus		0.0306	0.1417	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.007	0.0266	0.0266
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0021	0.0025	0.0025
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	0.012	0.012
Trypanosoma brucei	prenyl protein specific carboxyl methyltransferase	0.2063	1	1
Leishmania major	DNA polymerase eta, putative	0.0039	0.0113	0.0113
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0602	0.2862	0.283
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0602	0.2862	0.283
Brugia malayi	RNA, U transporter 1	0.0088	0.0352	0.0352
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0059	0.0212	0.0212
Loa Loa (eye worm)	hypothetical protein	0.0306	0.1417	0.1417
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0095	0.0386	0.0386
Mycobacterium ulcerans	DNA polymerase IV	0.004	0.012	0.0179
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	0.012	0.012
Brugia malayi	beta-lactamase	0.007	0.0266	0.0266
Schistosoma mansoni	smad1 5 8 and	0.0025	0.0043	0.0043
Schistosoma mansoni	hypothetical protein	0.033	0.1533	0.1533
Schistosoma mansoni	hypothetical protein	0.0099	0.0408	0.0408
Mycobacterium leprae	conserved hypothetical protein	0.007	0.0266	0.1691
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.004	0.0118	0.0175
Entamoeba histolytica	acetyltransferase, GNAT family	0.0039	0.0114	0.0071
Entamoeba histolytica	hypothetical protein	0.0073	0.0281	0.0238
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0059	0.0212	0.0212
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0021	0.0025	0.0025
Mycobacterium tuberculosis	Probable esterase LipL	0.007	0.0266	0.052
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.03	0.1386	0.1386
Trichomonas vaginalis	protein-S isoprenylcysteine O-methyltransferase, putative	0.2063	1	1
Trichomonas vaginalis	D-aminoacylase, putative	0.007	0.0266	0.0221
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.004	0.0118	1
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0074	0.0074
Schistosoma mansoni	DNA polymerase eta	0.0067	0.0248	0.0248
Echinococcus multilocularis	GA binding protein alpha chain	0.0077	0.0297	0.0297
Echinococcus multilocularis	Smad4	0.0025	0.0043	0.0043
Loa Loa (eye worm)	steroid hormone receptor	0.0021	0.0025	0.0025
Onchocerca volvulus		0.0249	0.1141	0.8021
Trichomonas vaginalis	DNA polymerase eta, putative	0.004	0.012	0.0075
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0043	0.0131	0.0131
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0059	0.0212	0.0212
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0219	0.0993	0.0993
Trypanosoma brucei	importin beta-1 subunit, putative	0.0031	0.0074	0.0074
Schistosoma mansoni	retinoic acid receptor RXR	0.0021	0.0025	0.0025
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.004	0.0118	0.0118
Onchocerca volvulus		0.007	0.0266	0.1732
Echinococcus granulosus	GA binding protein alpha chain	0.0077	0.0297	0.0297
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0021	0.0025	0.0025
Trypanosoma cruzi	DNA polymerase kappa, putative	0.004	0.012	0.012
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.033	0.1533	0.1533
Trypanosoma cruzi	DNA polymerase eta, putative	0.0067	0.0248	0.0248
Toxoplasma gondii	exonuclease III APE	0.004	0.0118	0.0118
Schistosoma mansoni	hypothetical protein	0.1022	0.4914	0.4914
Schistosoma mansoni	jumonji domain containing protein	0.0059	0.0212	0.0212
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0141	0.0612	0.0612
Entamoeba histolytica	prenyl cysteine carboxyl methyltransferase, putative	0.2063	1	1
Schistosoma mansoni	hypothetical protein	0.0095	0.0386	0.0386
Mycobacterium ulcerans	beta-lactamase	0.007	0.0266	0.052

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 3.3 uM	Inhibition of LPS-induced nitric oxide production in mouse RAW264.7 cells assessed as nitrite formation	ChEMBL.	18491868
IC50 (functional)	= 5.9 uM	Cytotoxicity against human HT-29 cells after 72 hrs by sulforhodamine B assay	ChEMBL.	20949916
IC50 (functional)	= 9.1 uM	Cytotoxicity against human SKOV3 cells after 72 hrs by sulforhodamine B assay	ChEMBL.	20949916
IC50 (functional)	> 10 uM	Cytotoxicity against human Bel7402 cells after 72 hrs by sulforhodamine B assay	ChEMBL.	20949916

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	20949916
Mus musculus	ChEMBL23	18491868

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: CHEMBL521396

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1018043