TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 495.693 | Formula: C31H45NO4
H donors: 1 H acceptors: 3 LogP: 7.95 Rotable bonds: 14
Rule of 5 violations (Lipinski): 1
SMILES: CC(CCN1C(=C)C=C(C1=O)CCC/C(=C/C=C/[C@@H](CC/C=C(\CC1OC(=O)C(=C1O)C)/C)C)/C)C
InChi: 1S/C31H45NO4/c1-21(2)17-18-32-25(6)20-27(30(32)34)16-10-14-23(4)12-8-11-22(3)13-9-15-24(5)19-28-29(33)26(7)31(35)36-28/h8,11-12,15,20-22,28,33H,6,9-10,13-14,16-19H2,1-5,7H3/b11-8+,23-12+,24-15-/t22-,28?/m0/s1
InChiKey: VKILSWCIUUXMKS-UBLJNHHNSA-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
Trypanosoma cruzi	ATP-dependent 6-phosphofructokinase, glycosomal	0.0107	0.1183	0.3755
Trichomonas vaginalis	phosphofructokinase, putative	0.0107	0.1183	0.341
Brugia malayi	RNA binding protein	0.0062	0.0614	0.1966
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0614	0.1922
Mycobacterium ulcerans	2-dehydropantoate 2-reductase	0.0107	0.1185	0.3414
Mycobacterium leprae	PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE)	0.011	0.1221	0.2951
Loa Loa (eye worm)	hypothetical protein	0.0034	0.025	0.0801
Echinococcus multilocularis	adenosylhomocysteinase	0.026	0.3124	0.3112
Chlamydia trachomatis	fructose-6-phosphate phosphotransferase	0.0029	0.0187	0.0428
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0614	0.1922
Loa Loa (eye worm)	doublecortin family protein	0.002	0.0075	0.0239
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0042	0.0354	0.0885
Toxoplasma gondii	exonuclease III APE	0.0019	0.0063	0.0138
Echinococcus multilocularis	lamin	0.0027	0.0157	0.014
Brugia malayi	Isocitrate dehydrogenase	0.0016	0.0017	0.0054
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0027	0.0087
Echinococcus granulosus	dihydrofolate reductase	0.0112	0.1248	0.3963
Brugia malayi	AMP-binding enzyme family protein	0.0048	0.0424	0.1358
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0271	0.0868
Brugia malayi	hypothetical protein	0.002	0.0075	0.0239
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0036	0.0271	0.0634
Plasmodium falciparum	LCCL domain-containing protein	0.002	0.0075	0.0186
Entamoeba histolytica	DNA topoisomerase II, putative	0.0077	0.0795	0.2392
Onchocerca volvulus	Putative DNA topoisomerase 2, mitochondrial	0.0056	0.0527	0.3943
Mycobacterium leprae	putative S-adenosyl-L-homocysteine hydrolase SahH	0.026	0.3124	1
Brugia malayi	hypothetical protein	0.0052	0.0486	0.1555
Schistosoma mansoni	adenosylhomocysteinase	0.0161	0.1864	0.5945
Loa Loa (eye worm)	thymidylate synthase	0.011	0.1221	0.3908
Plasmodium falciparum	ATP-dependent 6-phosphofructokinase	0.0029	0.0187	0.0548
Echinococcus multilocularis	DNA topoisomerase 2 alpha	0.0077	0.0795	0.0779
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	0.011	0.1221	0.3875
Schistosoma mansoni	DNA topoisomerase II	0.0077	0.0795	0.2505
Trichomonas vaginalis	6-phosphofructokinase, putative	0.0029	0.0187	0.0379
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0042	0.0354	0.1011
Echinococcus multilocularis	lamin dm0	0.0027	0.0157	0.014
Echinococcus granulosus	intermediate filament protein	0.0027	0.0157	0.0451
Schistosoma mansoni	rab6-interacting	0.002	0.0075	0.0186
Plasmodium vivax	acyl-CoA synthetase, putative	0.0036	0.0271	0.0818
Entamoeba histolytica	acetyltransferase, GNAT family	0.0039	0.0309	0.0805
Schistosoma mansoni	lamin	0.0027	0.0157	0.0451
Loa Loa (eye worm)	6-phosphofructokinase	0.0107	0.1183	0.3789
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.0222	0.265	0.8476
Trypanosoma cruzi	S-adenosylhomocysteine hydrolase, putative	0.026	0.3124	1
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.0222	0.265	0.8476
Trichomonas vaginalis	adenosylhomocysteinase, putative	0.0081	0.0856	0.2414
Brugia malayi	intermediate filament protein	0.0027	0.0157	0.0503
Echinococcus multilocularis	lipoxygenase domain containing protein	0.002	0.0075	0.0058
Plasmodium falciparum	acyl-CoA synthetase	0.0036	0.0271	0.0818
Schistosoma mansoni	loxhd1	0.002	0.0075	0.0186
Brugia malayi	acetyltransferase, GNAT family protein	0.0143	0.1638	0.5245
Leishmania major	ATP-dependent phosphofructokinase	0.0107	0.1183	0.3755
Mycobacterium ulcerans	ketopantoate reductase, ApbA	0.0277	0.3349	1
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	0.0067	0.0676	0.2165
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0048	0.0424	0.11
Trypanosoma brucei	DNA topoisomerase ii	0.006	0.0586	0.1833
Schistosoma mansoni	adenosylhomocysteinase	0.0161	0.1864	0.5945
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0157	0.0503
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0019	0.0063	0.0148
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0062	0.0614	0.1966
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	0.0067	0.0676	0.066
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0048	0.0424	0.1311
Echinococcus granulosus	lipoxygenase domain containing protein	0.002	0.0075	0.0186
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0048	0.0424	0.11
Mycobacterium tuberculosis	Hypothetical protein	0.0052	0.0486	0.1509
Echinococcus granulosus	transcription factor Dp 1	0.0039	0.0315	0.0959
Trichomonas vaginalis	phosphofructokinase, putative	0.0029	0.0187	0.0379
Entamoeba histolytica	phosphofructokinase, putative	0.0107	0.1183	0.3661
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0016	0.0017	0.0054
Plasmodium falciparum	histone acetyltransferase GCN5	0.0039	0.0309	0.0941
Schistosoma mansoni	polycystin 1-related	0.002	0.0075	0.0186
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0034	0.0246	0.0739
Plasmodium vivax	multidomain scavenger receptor, putative	0.002	0.0075	0.0186
Loa Loa (eye worm)	hypothetical protein	0.0034	0.025	0.0801
Toxoplasma gondii	adenosylhomocysteinase, putative	0.026	0.3124	0.9325
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0042	0.0354	0.1084
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.0067	0.0676	0.2165
Toxoplasma gondii	phosphofructokinase domain-containing protein	0.0029	0.0187	0.0511
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0048	0.0424	0.1181
Schistosoma mansoni	rab6-interacting	0.002	0.0075	0.0186
Echinococcus granulosus	lamin dm0	0.0027	0.0157	0.0451
Brugia malayi	DNA gyrase/topoisomerase IV, A subunit family protein	0.0077	0.0795	0.2545
Entamoeba histolytica	phosphofructokinase, putative	0.0107	0.1183	0.3661
Echinococcus granulosus	Polycystic kidney disease protein	0.002	0.0075	0.0186
Brugia malayi	Dihydrofolate reductase	0.0112	0.1248	0.3995
Echinococcus multilocularis	dihydrofolate reductase	0.0112	0.1248	0.1233
Mycobacterium ulcerans	thymidylate synthase	0.011	0.1221	0.3524
Brugia malayi	RNA recognition motif domain containing protein	0.0062	0.0614	0.1966
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0019	0.0063	0.0201
Mycobacterium ulcerans	acyl-CoA synthetase	0.0048	0.0424	0.11
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0237	0.2842	0.9095
Plasmodium falciparum	adenosylhomocysteinase	0.026	0.3124	1
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0019	0.0063	0.0148
Leishmania major	tyrosyl-DNA phosphodiesterase 1	0.0067	0.0676	0.2122
Brugia malayi	AMP-binding enzyme family protein	0.0048	0.0424	0.1358
Brugia malayi	dihydrofolate reductase family protein	0.0112	0.1248	0.3995
Brugia malayi	Adenosylhomocysteinase	0.026	0.3124	1
Chlamydia trachomatis	dihydrofolate reductase	0.0112	0.1248	1
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0139	0.1587	0.5055
Leishmania major	DNA topoisomerase ii	0.0069	0.0697	0.2188
Brugia malayi	6-phosphofructokinase	0.0107	0.1183	0.3789
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0027	0.0087
Loa Loa (eye worm)	TOPoisomerase family member	0.0077	0.0795	0.2545
Onchocerca volvulus	DNA topoisomerase 2 homolog	0.0056	0.0527	0.3943
Trypanosoma cruzi	mitochondrial DNA topoisomerase II, putative	0.006	0.0586	0.1833
Entamoeba histolytica	adenosylhomocysteinase, putative	0.026	0.3124	1
Toxoplasma gondii	S-Adenosyl homocysteine hydrolase	0.026	0.3124	0.9325
Plasmodium vivax	adenosylhomocysteinase(S-adenosyl-L-homocystein e hydrolase), putative	0.026	0.3124	1
Mycobacterium leprae	PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE)	0.0107	0.1183	0.2812
Schistosoma mansoni	ap endonuclease	0.0019	0.0063	0.0148
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.0222	0.265	0.8476
Loa Loa (eye worm)	6-phosphofructokinase	0.0107	0.1183	0.3789
Loa Loa (eye worm)	hypothetical protein	0.002	0.0075	0.0239
Trypanosoma brucei	DNA topoisomerase II alpha, putative	0.0069	0.0697	0.2188
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	0.011	0.1221	0.3875
Trypanosoma cruzi	DNA topoisomerase II, putative	0.0069	0.0697	0.2188
Entamoeba histolytica	acyl-coA synthetase, putative	0.0048	0.0424	0.1181
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0019	0.0063	0.0148
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0042	0.0354	0.0885
Giardia lamblia	Histone acetyltransferase GCN5	0.0039	0.0309	0.3574
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0271	0.0868
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0019	0.0063	0.0148
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0271	0.0868
Schistosoma mansoni	hypothetical protein	0.002	0.0075	0.0186
Echinococcus granulosus	RUN	0.002	0.0075	0.0186
Onchocerca volvulus		0.011	0.1221	1
Echinococcus granulosus	6 phosphofructokinase	0.0107	0.1183	0.3755
Brugia malayi	DNA topoisomerase II, alpha isozyme	0.0077	0.0795	0.2545
Giardia lamblia	Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit	0.0029	0.0187	0.1806
Plasmodium vivax	6-phosphofructokinase, putative	0.0029	0.0187	0.0548
Entamoeba histolytica	phosphofructokinase, putative	0.0107	0.1183	0.3661
Echinococcus granulosus	lipoxygenase domain containing protein	0.002	0.0075	0.0186
Trypanosoma cruzi	mitochondrial DNA topoisomerase II, putative	0.006	0.0586	0.1833
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0048	0.0424	0.11
Trichomonas vaginalis	phosphofructokinase, putative	0.0029	0.0187	0.0379
Onchocerca volvulus		0.0048	0.0424	0.305
Echinococcus multilocularis	6 phosphofructokinase	0.0107	0.1183	0.1168
Echinococcus multilocularis	transcription factor Dp 1	0.0039	0.0315	0.0298
Leishmania major	4-coumarate:coa ligase-like protein	0.0048	0.0424	0.1311
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.012	0.1351	0.1336
Trichomonas vaginalis	conserved hypothetical protein	0.0277	0.3349	1
Trichomonas vaginalis	phosphofructokinase, putative	0.0107	0.1183	0.341
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0237	0.2842	0.9095
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0042	0.0354	0.1011
Brugia malayi	thymidylate synthase	0.011	0.1221	0.3908
Trichomonas vaginalis	DNA topoisomerase II, putative	0.0077	0.0795	0.2228
Echinococcus granulosus	lamin	0.0027	0.0157	0.0451
Echinococcus granulosus	thymidylate synthase	0.011	0.1221	0.3875
Mycobacterium tuberculosis	DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase)	0.0025	0.014	0.0396
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	0.0067	0.0676	0.2122
Plasmodium vivax	DNA topoisomerase II, putative	0.0077	0.0795	0.2505
Brugia malayi	phosphofructokinase	0.0107	0.1183	0.3789
Trichomonas vaginalis	phosphofructokinase, putative	0.0029	0.0187	0.0379
Schistosoma mansoni	6-phosphofructokinase	0.0107	0.1183	0.3755
Schistosoma mansoni	6-phosphofructokinase	0.0107	0.1183	0.3755
Brugia malayi	AMP-binding enzyme family protein	0.0048	0.0424	0.1358
Schistosoma mansoni	lipoxygenase	0.012	0.1351	0.4293
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.0222	0.265	0.8476
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0034	0.0246	0.0739
Entamoeba histolytica	tyrosyl-DNA phosphodiesterase, putative	0.0067	0.0676	0.2003
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0019	0.0063	0.0046
Schistosoma mansoni	adenosylhomocysteinase	0.0161	0.1864	0.5945
Leishmania major	4-coumarate:coa ligase-like protein	0.0048	0.0424	0.1311
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0614	0.1922
Treponema pallidum	diphosphate--fructose-6-phosphate 1-phosphotransferase	0.0107	0.1183	1
Schistosoma mansoni	ap endonuclease	0.0019	0.0063	0.0148
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0424	0.1358
Loa Loa (eye worm)	TAR-binding protein	0.0062	0.0614	0.1966
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0048	0.0424	0.1311
Onchocerca volvulus		0.0027	0.0157	0.072
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0027	0.0157	0.0503
Trypanosoma cruzi	S-adenosylhomocysteine hydrolase, putative	0.026	0.3124	1
Giardia lamblia	DNA topoisomerase II	0.0073	0.0752	1
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase, putative	0.0052	0.0486	0.1509
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0042	0.0354	0.1084
Trichomonas vaginalis	phosphofructokinase, putative	0.0029	0.0187	0.0379
Echinococcus multilocularis	tar DNA binding protein	0.0062	0.0614	0.0598
Loa Loa (eye worm)	acetyltransferase	0.0143	0.1638	0.5245
Mycobacterium ulcerans	hypothetical protein	0.0048	0.0424	0.11
Brugia malayi	isocitrate dehydrogenase	0.0016	0.0017	0.0054
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0271	0.0868
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0027	0.0087
Trichomonas vaginalis	conserved hypothetical protein	0.0052	0.0486	0.1287
Echinococcus granulosus	tar DNA binding protein	0.0062	0.0614	0.1922
Brugia malayi	6-phosphofructokinase	0.0107	0.1183	0.3789
Onchocerca volvulus	DNA topoisomerase 2 homolog	0.0056	0.0527	0.3943
Loa Loa (eye worm)	phosphofructokinase	0.0107	0.1183	0.3789
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0036	0.0271	0.1184
Plasmodium vivax	DNA gyrase subunit B, putative	0.0025	0.014	0.0396
Toxoplasma gondii	6-phosphofructokinase	0.0029	0.0187	0.0511
Trichomonas vaginalis	phosphofructokinase, putative	0.0029	0.0187	0.0379
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0019	0.0063	0.0148
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.0222	0.265	0.7904
Trypanosoma brucei	S-adenosylhomocysteine hydrolase, putative	0.026	0.3124	1
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0151	0.0483
Plasmodium falciparum	DNA topoisomerase 2	0.0077	0.0795	0.2505
Mycobacterium tuberculosis	Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase)	0.0107	0.1183	0.3755
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0067	0.0676	0.2122
Trypanosoma cruzi	DNA topoisomerase II, putative	0.0069	0.0697	0.2188
Trichomonas vaginalis	phosphofructokinase, putative	0.0107	0.1183	0.341
Mycobacterium ulcerans	dihydrofolate reductase DfrA	0.0112	0.1248	0.3607
Wolbachia endosymbiont of Brugia malayi	DNA gyrase, topoisomerase II, B subunit, GyrB	0.0025	0.014	1
Onchocerca volvulus		0.0027	0.0157	0.072
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0036	0.0271	0.0818
Trypanosoma brucei	DNA topoisomerase II beta, putative	0.0069	0.0697	0.2188
Toxoplasma gondii	ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein	0.0025	0.014	0.0369
Schistosoma mansoni	lamin	0.0027	0.0157	0.0451
Trichomonas vaginalis	conserved hypothetical protein	0.0045	0.0397	0.1016
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0143	0.1638	0.5219
Trichomonas vaginalis	adenosylhomocysteinase, putative	0.026	0.3124	0.9315
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0271	0.0868
Trypanosoma brucei	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0067	0.0676	0.2122
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0474	0.1517
Toxoplasma gondii	3-methyl-2-oxobutanoate hydroxymethyltransferase	0.0277	0.3349	1
Loa Loa (eye worm)	dihydrofolate reductase	0.0112	0.1248	0.3995
Toxoplasma gondii	DNA topoisomerase 2, putative	0.0077	0.0795	0.2335
Mycobacterium tuberculosis	Probable adenosylhomocysteinase SahH (S-adenosyl-L-homocysteine hydrolase) (adohcyase)	0.026	0.3124	1
Trypanosoma brucei	ATP-dependent 6-phosphofructokinase, glycosomal	0.0107	0.1183	0.3755
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0048	0.0424	0.1181
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0614	0.1922
Mycobacterium leprae	DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE)	0.0112	0.1248	0.3052
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0474	0.1517
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0019	0.0063	0.0148
Brugia malayi	hypothetical protein	0.002	0.0075	0.0239
Schistosoma mansoni	adenosylhomocysteinase	0.0161	0.1864	0.5945
Brugia malayi	exodeoxyribonuclease III family protein	0.0019	0.0063	0.0201
Leishmania major	mitochondrial DNA topoisomerase II	0.006	0.0586	0.1833
Brugia malayi	Doublecortin family protein	0.002	0.0075	0.0239
Mycobacterium ulcerans	DNA gyrase subunit B	0.0025	0.014	0.0234
Echinococcus multilocularis	musashi	0.0027	0.0157	0.014
Trichomonas vaginalis	hypothetical protein	0.0062	0.0607	0.1655
Trichomonas vaginalis	conserved hypothetical protein	0.0277	0.3349	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0034	0.0246	0.0739
Leishmania major	S-adenosylhomocysteine hydrolase	0.026	0.3124	1
Loa Loa (eye worm)	adenosylhomocysteinase	0.026	0.3124	1
Loa Loa (eye worm)	RNA binding protein	0.0062	0.0614	0.1966
Echinococcus granulosus	DNA topoisomerase 2 alpha	0.0077	0.0795	0.2505
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0067	0.0676	0.2122
Echinococcus multilocularis	RUN	0.002	0.0075	0.0058
Schistosoma mansoni	lipoxygenase	0.0084	0.089	0.2809
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0034	0.0246	0.0739
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0107	0.1185	0.3759
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0237	0.2842	0.283
Trichomonas vaginalis	phosphofructokinase, putative	0.0107	0.1183	0.341
Plasmodium vivax	6-phosphofructokinase, putative	0.0029	0.0187	0.0548
Leishmania major	4-coumarate:coa ligase-like protein	0.0048	0.0424	0.1311
Schistosoma mansoni	intermediate filament proteins	0.0027	0.0157	0.0451
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0424	0.1358
Plasmodium falciparum	ATP-dependent 6-phosphofructokinase	0.0029	0.0187	0.0548
Treponema pallidum	DNA gyrase, subunit B (gyrB)	0.0025	0.014	0.0687
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0048	0.0424	0.11
Mycobacterium ulcerans	6-phosphofructokinase	0.0107	0.1183	0.341
Mycobacterium ulcerans	acyl-CoA synthetase	0.0048	0.0424	0.11
Brugia malayi	TAR-binding protein	0.0062	0.0614	0.1966
Chlamydia trachomatis	DNA gyrase subunit B	0.0042	0.0349	0.1883
Plasmodium falciparum	DNA gyrase subunit B	0.0025	0.014	0.0396
Trichomonas vaginalis	phosphofructokinase, putative	0.0029	0.0187	0.0379
Mycobacterium ulcerans	S-adenosyl-L-homocysteine hydrolase	0.026	0.3124	0.9315
Trichomonas vaginalis	adenosylhomocysteinase, putative	0.026	0.3124	0.9315
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.012	0.1351	0.4293
Entamoeba histolytica	pyrophosphate-dependent phosphofructokinase	0.0029	0.0187	0.0406
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0019	0.0063	0.0148
Echinococcus granulosus	adenosylhomocysteinase	0.026	0.3124	1
Echinococcus multilocularis	lipoxygenase domain containing protein	0.002	0.0075	0.0058
Echinococcus multilocularis	thymidylate synthase	0.011	0.1221	0.1206
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.0222	0.265	0.8476
Brugia malayi	Intermediate filament tail domain containing protein	0.0027	0.0157	0.0503
Mycobacterium ulcerans	acyl-CoA synthetase	0.0048	0.0424	0.11
Chlamydia trachomatis	fructose-6-phosphate phosphotransferase	0.0029	0.0187	0.0428
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0019	0.0063	0.0148
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0424	0.1358
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	0.0112	0.1248	0.3963
Treponema pallidum	diphosphate--fructose-6-phosphate 1-phosphotransferase	0.0029	0.0187	0.111
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0614	0.1922
Toxoplasma gondii	phosphofructokinase PFKII	0.0029	0.0187	0.0511
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.0067	0.0676	0.2122
Schistosoma mansoni	dihydrofolate reductase	0.0112	0.1248	0.3963
Brugia malayi	Probable DNA topoisomerase II	0.0077	0.0795	0.2545
Schistosoma mansoni	adenosylhomocysteinase	0.026	0.3124	1
Echinococcus multilocularis	Polycystic kidney disease protein	0.002	0.0075	0.0058
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0143	0.1638	0.1624
Loa Loa (eye worm)	intermediate filament protein	0.0027	0.0157	0.0503
Loa Loa (eye worm)	hypothetical protein	0.002	0.0075	0.0239

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 3.4 ug ml-1	Cytotoxicity against human A549 cells	ChEMBL.	18334299
IC50 (functional)	= 3.4 ug ml-1	Cytotoxicity against human SK-OV-3 cells	ChEMBL.	18334299
IC50 (functional)	= 3.4 ug ml-1	Cytotoxicity against human SK-Mel-2 cells	ChEMBL.	18334299
IC50 (functional)	= 3.4 ug ml-1	Cytotoxicity against human XF498 cells	ChEMBL.	18334299
IC50 (functional)	= 3.4 ug ml-1	Cytotoxicity against human HCT15 cells	ChEMBL.	18334299

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	18334299

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: CHEMBL467761

Bibliographic References

No literature references available for this target.

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Detailed information for compound 972271