TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 390.47 | Formula: C22H30O6
H donors: 2 H acceptors: 4 LogP: 1.81 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: CC(=O)O[C@H]1CCC([C@@H]2[C@]31CO[C@@]([C@H]2O)([C@]12[C@H]3CC[C@H](C1)C(=C)C2=O)O)(C)C
InChi: 1S/C22H30O6/c1-11-13-5-6-14-20-10-27-22(26,21(14,9-13)17(11)24)18(25)16(20)19(3,4)8-7-15(20)28-12(2)23/h13-16,18,25-26H,1,5-10H2,2-4H3/t13-,14+,15+,16-,18+,20-,21+,22+/m1/s1
InChiKey: TZECSBJPAFKEQJ-KHLAQJFASA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

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

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 0.7 uM	Cytotoxicity against human HL60 cells after 48 hrs by MTT method	ChEMBL.	21534539
IC50 (functional)	= 0.7 uM	Cytotoxicity against human MCF7 cells after 48 hrs by MTT method	ChEMBL.	21534539
IC50 (functional)	= 0.8 uM	Cytotoxicity against human SW480 cells after 48 hrs by MTT method	ChEMBL.	21534539
IC50 (functional)	= 1 uM	Cytotoxicity against human SMMC7721 cells after 48 hrs by MTT method	ChEMBL.	21534539
IC50 (functional)	= 2.1 uM	Cytotoxicity against human SKOV3 cells after 72 hrs by sulforhodamine B assay	ChEMBL.	20949916
IC50 (functional)	= 3.5 uM	Cytotoxicity against human A549 cells after 48 hrs by MTT method	ChEMBL.	21534539
IC50 (functional)	= 4.1 uM	Cytotoxicity against human HT-29 cells after 72 hrs by sulforhodamine B assay	ChEMBL.	20949916
IC50 (functional)	= 7.3 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

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: CHEMBL1641880

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1463498