TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 348.433 | Formula: C20H28O5
H donors: 3 H acceptors: 4 LogP: 1.24 Rotable bonds: 0
Rule of 5 violations (Lipinski): 1
SMILES: C=C1[C@@H]2CC[C@@H]3[C@](C1=O)(C2)[C@@]1(O)OC[C@@]23[C@H](O)CCC([C@H]2[C@@H]1O)(C)C
InChi: 1S/C20H28O5/c1-10-11-4-5-12-18-9-25-20(24,19(12,8-11)15(10)22)16(23)14(18)17(2,3)7-6-13(18)21/h11-14,16,21,23-24H,1,4-9H2,2-3H3/t11-,12+,13-,14-,16+,18-,19+,20+/m1/s1
InChiKey: PXLVZESUZUOWAJ-RYZOWSHUSA-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
Mycobacterium tuberculosis	Probable cytochrome P450 141 Cyp141	0.0038	0.0028	0.0037
Mycobacterium tuberculosis	Possible phosphoglycerate mutase Gpm2 (phosphoglyceromutase) (PGAM) (BPG-dependent PGAM)	0.0057	0.0084	0.0959
Mycobacterium leprae	conserved hypothetical protein	0.0057	0.0084	1
Brugia malayi	RNA recognition motif domain containing protein	0.0069	0.012	0.0925
Schistosoma mansoni	tar DNA-binding protein	0.0069	0.012	0.0119
Loa Loa (eye worm)	hypothetical protein	0.193	0.5696	0.5696
Echinococcus multilocularis	transcription factor Dp 1	0.0044	0.0047	0.0045
Leishmania major	hypothetical protein, conserved	0.0057	0.0084	0.0058
Chlamydia trachomatis	2,3-bisphosphoglycerate-dependent phosphoglycerate mutase	0.0057	0.0084	0.5
Mycobacterium tuberculosis	Probable cytochrome P450 128 Cyp128	0.0038	0.0028	0.0037
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0037	0.0026	0.0026
Trypanosoma brucei	kinetoplastid kinetochore protein 19	0.0179	0.045	0.0426
Mycobacterium ulcerans	cytochrome P450 125A7 Cyp125A7	0.0038	0.0028	0.0012
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0102	0.0218	0.0192
Echinococcus multilocularis	phosphoglycerate mutase	0.0057	0.0084	0.0082
Giardia lamblia	Hypothetical protein	0.1987	0.5866	1
Loa Loa (eye worm)	intermediate filament protein	0.0029	0.0002	0.0002
Brugia malayi	PAS domain containing protein	0.0048	0.0059	0.0443
Echinococcus multilocularis	serine:threonine protein phosphatase PGAM5	0.0057	0.0084	0.0082
Onchocerca volvulus		0.0057	0.0084	0.0082
Toxoplasma gondii	cytochrome p450 superfamily protein	0.0038	0.0028	0.0052
Onchocerca volvulus		0.052	0.1472	0.1471
Schistosoma mansoni	cellular tumor antigen P53	0.0049	0.0061	0.0059
Trichomonas vaginalis	CMGC family protein kinase	0.0102	0.0218	0.1327
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0037	0.0026	0.0009
Onchocerca volvulus		0.0036	0.0021	0.0019
Echinococcus multilocularis	neuropeptide receptor	0.0175	0.0439	0.0437
Leishmania major	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase-1-like protein	0.1436	0.4218	0.4202
Brugia malayi	Cytochrome P450 family protein	0.0094	0.0197	0.152
Trypanosoma cruzi	6-phosphofructo-2-kinase 1	0.3309	0.983	0.9829
Loa Loa (eye worm)	beta-lactamase	0.0037	0.0026	0.0026
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0057	0.0084	0.0959
Trypanosoma cruzi	Lanosterol 14-alpha demethylase	0.0038	0.0028	0.0002
Mycobacterium ulcerans	bifunctional RNase H/acid phosphatase	0.0057	0.0084	0.0108
Trichomonas vaginalis	conserved hypothetical protein	0.0057	0.0084	0.0401
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.0026	0.0024
Echinococcus granulosus	phosphoglycerate mutase	0.0057	0.0084	0.0082
Trypanosoma brucei	cytochrome P450, putative	0.0055	0.0079	0.0054
Echinococcus granulosus	mitogen activated protein kinase 3	0.0102	0.0218	0.0216
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.0102	0.0218	0.0192
Schistosoma mansoni	aldehyde dehydrogenase	0.0066	0.0112	0.011
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0034	0.0017	0.0015
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	0.0077	0.0144	0.0142
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0102	0.0218	0.0192
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.0102	0.0218	0.0192
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0084	0.0084
Mycobacterium tuberculosis	Cytochrome P450 121 Cyp121	0.0038	0.0028	0.0037
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0002	0.0002
Leishmania major	lanosterol 14-alpha-demethylase, putative	0.0038	0.0028	0.0002
Trichomonas vaginalis	CMGC family protein kinase	0.0102	0.0218	0.1327
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0048	0.0056	0.0055
Leishmania major	hypothetical protein, unknown function	0.0057	0.0084	0.0058
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0026	0.0026
Mycobacterium ulcerans	hydrolase MutT1	0.0057	0.0084	0.0108
Trypanosoma cruzi	cytochrome P450, putative	0.0055	0.0079	0.0054
Mycobacterium leprae	POSSIBLE HYDROLASE MUTT1	0.0057	0.0084	1
Echinococcus granulosus	microtubule associated protein 2	0.1521	0.4472	0.4471
Trypanosoma brucei	Histidine phosphatase superfamily (branch 1), putative	0.0057	0.0084	0.0058
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0136	0.0136
Brugia malayi	beta-lactamase family protein	0.0037	0.0026	0.0189
Schistosoma mansoni	transcription factor LCR-F1	0.0037	0.0026	0.0024
Trichomonas vaginalis	CMGC family protein kinase	0.0179	0.045	0.2935
Loa Loa (eye worm)	hypothetical protein	0.0246	0.0651	0.0651
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.0077	0.0144	0.0142
Trypanosoma brucei	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0077	0.0144	0.0118
Mycobacterium tuberculosis	Probable cytochrome P450 125 Cyp125	0.0038	0.0028	0.0037
Leishmania major	phosphoglycerate mutase, putative	0.0057	0.0084	0.0058
Brugia malayi	beta-lactamase	0.0037	0.0026	0.0189
Mycobacterium tuberculosis	PE-PGRS family protein PE_PGRS11	0.0057	0.0084	0.0959
Trypanosoma brucei	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.3366	1	1
Giardia lamblia	Hypothetical protein	0.1987	0.5866	1
Schistosoma mansoni	serine/threonine protein kinase	0.0179	0.045	0.0449
Brugia malayi	Muscleblind-like protein	0.0174	0.0435	0.3374
Schistosoma mansoni	phosphoglycerate mutase	0.0057	0.0084	0.0082
Brugia malayi	RNA binding protein	0.0069	0.012	0.0925
Brugia malayi	hypothetical protein	0.0127	0.0296	0.2291
Leishmania major	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.3309	0.983	0.9829
Trypanosoma cruzi	glycerolphosphate mutase, putative	0.0057	0.0084	0.0058
Trypanosoma cruzi	Histidine phosphatase superfamily (branch 1), putative	0.0057	0.0084	0.0058
Loa Loa (eye worm)	cytochrome P450	0.0038	0.0028	0.0028
Leishmania major	glycerolphosphate mutase, putative	0.0057	0.0084	0.0058
Mycobacterium leprae	Possible phosphoglycerate mutase	0.0057	0.0084	1
Echinococcus granulosus	cytochrome P450 2K1	0.0038	0.0028	0.0027
Echinococcus granulosus	hypothetical protein	0.0177	0.0444	0.0442
Mycobacterium tuberculosis	Possible cytochrome P450 135A1 Cyp135A1	0.0038	0.0028	0.0037
Mycobacterium ulcerans	phosphohistidine phosphatase SixA	0.0057	0.0084	0.0108
Mycobacterium ulcerans	hypothetical protein	0.0057	0.0084	0.0108
Echinococcus multilocularis	dual specificity protein kinase clk2	0.0179	0.045	0.0449
Leishmania major	hypothetical protein, conserved	0.0057	0.0084	0.0058
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0066	0.011	0.1982
Mycobacterium tuberculosis	Probable cytochrome P450 138 Cyp138	0.0038	0.0028	0.0037
Brugia malayi	phosphoglycerate mutase family protein	0.0057	0.0084	0.0641
Loa Loa (eye worm)	MH2 domain-containing protein	0.0253	0.0672	0.0672
Leishmania major	cytochrome p450-like protein	0.0038	0.0028	0.0002
Trypanosoma cruzi	phosphoglycerate mutase family member 5, putative	0.0057	0.0084	0.0058
Schistosoma mansoni	hypothetical protein	0.0057	0.0084	0.0082
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0037	0.0026	0.0024
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-bisphosphatas, putative	0.0057	0.0084	0.0058
Schistosoma mansoni	hypothetical protein	0.0034	0.0017	0.0015
Mycobacterium ulcerans	cytochrome P450 136A2 Cyp136A2	0.0038	0.0028	0.0012
Mycobacterium tuberculosis	Conserved protein	0.0057	0.0084	0.0959
Schistosoma mansoni	cytochrome P450	0.0038	0.0028	0.0027
Mycobacterium leprae	PROBABLE PHOSPHOGLYCERATE MUTASE (PHOSPHOGLYCEROMUTASE)	0.0057	0.0084	1
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.1436	0.4218	0.4202
Brugia malayi	hypoxia-induced factor 1	0.015	0.0362	0.2808
Mycobacterium ulcerans	cytochrome P450 126A3 Cyp126A3	0.0038	0.0028	0.0012
Echinococcus multilocularis	G protein coupled receptor 139	0.0175	0.0439	0.0437
Plasmodium vivax	serine/threonine kinase-1, putative	0.0179	0.045	1
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.0077	0.0144	0.0144
Mycobacterium ulcerans	hypothetical protein	0.0057	0.0084	0.0108
Trypanosoma cruzi	kinetoplastid kinetochore protein 19, putative	0.0179	0.045	0.0426
Loa Loa (eye worm)	phosphoglycerate mutase	0.0057	0.0084	0.0084
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0066	0.0112	0.011
Schistosoma mansoni	hypothetical protein	0.0184	0.0466	0.0465
Mycobacterium tuberculosis	Probable cytochrome P450 144 Cyp144	0.0038	0.0028	0.0037
Echinococcus multilocularis	6 phosphofructo 2 kinase:fructose 2	0.3366	1	1
Schistosoma mansoni	tar DNA-binding protein	0.0069	0.012	0.0119
Trichomonas vaginalis	phosphoglycerate mutase, putative	0.0057	0.0084	0.0401
Toxoplasma gondii	phosphoglycerate mutase family protein	0.0057	0.0084	0.1366
Brugia malayi	UBASH3A protein homolog	0.0057	0.0084	0.0641
Echinococcus multilocularis	phosphoglycerate mutase	0.0057	0.0084	0.0082
Trypanosoma brucei	phosphoglycerate mutase, putative	0.0057	0.0084	0.0058
Trypanosoma cruzi	cytochrome P450, putative	0.0055	0.0079	0.0054
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0458	0.1285	0.1285
Echinococcus multilocularis	geminin	0.0184	0.0466	0.0465
Trypanosoma cruzi	Histidine phosphatase superfamily (branch 1), putative	0.0057	0.0084	0.0058
Loa Loa (eye worm)	hypothetical protein	0.0127	0.0296	0.0296
Schistosoma mansoni	hypothetical protein	0.0037	0.0026	0.0024
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.0026	0.0024
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0844	0.2442	0.2441
Mycobacterium tuberculosis	Probable cytochrome P450 139 Cyp139	0.0038	0.0028	0.0037
Schistosoma mansoni	phosphoglycerate mutase	0.0057	0.0084	0.0082
Echinococcus granulosus	serine:threonine protein phosphatase PGAM5	0.0057	0.0084	0.0082
Mycobacterium tuberculosis	Probable cytochrome P450 123 Cyp123	0.0038	0.0028	0.0037
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	0.0077	0.0144	0.1108
Trypanosoma cruzi	kinetoplastid kinetochore protein 10, putative	0.0179	0.045	0.0426
Echinococcus multilocularis		0.0038	0.0028	0.0027
Loa Loa (eye worm)	CMGC/CLK protein kinase	0.0179	0.045	0.045
Mycobacterium ulcerans	beta-lactamase	0.0037	0.0026	0.0009
Trypanosoma cruzi	cytochrome p450-like protein, putative	0.0038	0.0028	0.0002
Leishmania major	cytochrome p450-like protein	0.0038	0.0028	0.0002
Brugia malayi	hypothetical protein	0.0162	0.04	0.3102
Trypanosoma brucei	Histidine phosphatase superfamily (branch 1), putative	0.0057	0.0084	0.0058
Schistosoma mansoni	hypothetical protein	0.0057	0.0084	0.0082
Loa Loa (eye worm)	CYP4Cod1	0.0055	0.0079	0.0079
Loa Loa (eye worm)	hypothetical protein	0.0066	0.011	0.011
Schistosoma mansoni	hypothetical protein	0.0057	0.0084	0.0082
Trichomonas vaginalis	CMGC family protein kinase	0.0102	0.0218	0.1327
Trypanosoma brucei	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.1436	0.4218	0.4202
Trichomonas vaginalis	set domain proteins, putative	0.052	0.1472	1
Trypanosoma brucei	6-phosphofructo-2-kinase 2	0.3309	0.983	0.9829
Onchocerca volvulus	Protein UBASH3A homolog	0.0057	0.0084	0.0082
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0048	0.0056	0.0055
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0026	0.0026
Schistosoma mansoni	microtubule-associated protein tau	0.1521	0.4472	0.4471
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0084	0.0084
Mycobacterium tuberculosis	Probable phosphoglycerate mutase (phosphoglyceromutase) (phosphoglycerate phosphomutase)	0.0057	0.0084	0.0959
Trichomonas vaginalis	CMGC family protein kinase	0.0102	0.0218	0.1327
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0056	0.0055
Mycobacterium leprae	conserved hypothetical protein	0.0057	0.0084	1
Mycobacterium ulcerans	cytochrome P450 105Q4 Cyp105Q4	0.0038	0.0028	0.0012
Mycobacterium leprae	putative cytochrome p450	0.0038	0.0028	0.0382
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0034	0.0017	0.0015
Mycobacterium ulcerans	cytochrome P450 187A5 Cyp187A5	0.0038	0.0028	0.0012
Mycobacterium tuberculosis	Probable cytochrome P450 monooxygenase 142 Cyp142	0.0038	0.0028	0.0037
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.005	0.0064	0.0486
Brugia malayi	hypothetical protein	0.0246	0.0651	0.506
Mycobacterium tuberculosis	Probable cytochrome P450 137 Cyp137	0.0038	0.0028	0.0037
Trypanosoma brucei	glycerolphosphate mutase, putative	0.0057	0.0084	0.0058
Plasmodium vivax	phosphoglycerate mutase, putative	0.0057	0.0084	0.1366
Mycobacterium ulcerans	cytochrome P450 140A5 Cyp140A5	0.0038	0.0028	0.0012
Schistosoma mansoni	hypothetical protein	0.0057	0.0084	0.0082
Mycobacterium ulcerans	cytochrome P450 143A4 Cyp143A4	0.0038	0.0028	0.0012
Brugia malayi	Pre-SET motif family protein	0.0457	0.1283	0.9983
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0066	0.011	0.0108
Trichomonas vaginalis	phosphoglycerate mutase, putative	0.0057	0.0084	0.0401
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.3366	1	1
Loa Loa (eye worm)	hypothetical protein	0.0127	0.0296	0.0296
Schistosoma mansoni	aldehyde dehydrogenase	0.0066	0.0112	0.011
Trypanosoma cruzi	6-phosphofructo-2-kinase 1	0.3309	0.983	0.9829
Loa Loa (eye worm)	hypothetical protein	0.0174	0.0435	0.0435
Mycobacterium tuberculosis	Possible cytochrome P450 126 Cyp126	0.0038	0.0028	0.0037
Brugia malayi	follicle stimulating hormone receptor	0.0458	0.1285	1
Leishmania major	protein kinase, putative	0.0179	0.045	0.0426
Echinococcus multilocularis	microtubule associated protein 2	0.1521	0.4472	0.4471
Brugia malayi	phosphoglycerate mutase family protein	0.0057	0.0084	0.0641
Onchocerca volvulus	Huntingtin homolog	0.0127	0.0296	0.0294
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0026	0.0026
Mycobacterium ulcerans	cytochrome P450 123A3 Cyp123A3	0.0038	0.0028	0.0012
Loa Loa (eye worm)	hypothetical protein	0.0109	0.0239	0.0239
Loa Loa (eye worm)	hypothetical protein	0.3366	1	1
Trypanosoma cruzi	Lanosterol 14-alpha demethylase	0.0038	0.0028	0.0002
Echinococcus granulosus	muscleblind protein	0.0174	0.0435	0.0433
Echinococcus granulosus	neuropeptide receptor	0.0175	0.0439	0.0437
Echinococcus multilocularis	phosphoglycerate mutase	0.0057	0.0084	0.0082
Echinococcus granulosus	transcription factor Dp 1	0.0044	0.0047	0.0045
Mycobacterium ulcerans	cytochrome P450 108B4 Cyp108B4	0.0038	0.0028	0.0012
Brugia malayi	Cytochrome P450 family protein	0.0055	0.0079	0.0606
Trypanosoma brucei	6-phosphofructo-2-kinase/fructose-2,6-bisphosphatas, putative	0.0057	0.0084	0.0058
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0066	0.011	0.0108
Echinococcus multilocularis	mitogen activated protein kinase 3	0.0102	0.0218	0.0216
Brugia malayi	MAP kinase sur-1	0.0102	0.0218	0.1684
Echinococcus multilocularis	tar DNA binding protein	0.0069	0.012	0.0119
Echinococcus multilocularis	serine:threonine protein phosphatase PGAM5	0.0057	0.0084	0.0082
Echinococcus granulosus	single minded 2	0.0036	0.0021	0.0019
Mycobacterium ulcerans	fructose-2,6-bisphosphatase GpmB	0.1987	0.5866	1
Mycobacterium tuberculosis	Probable cytochrome P450 136 Cyp136	0.0038	0.0028	0.0037
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0109	0.0239	0.1852
Onchocerca volvulus	Protein UBASH3A homolog	0.0057	0.0084	0.0082
Echinococcus granulosus	mitogen activated protein kinase	0.0102	0.0218	0.0216
Mycobacterium ulcerans	phosphoglycerate mutase	0.0057	0.0084	0.0108
Trypanosoma cruzi	kinetoplastid kinetochore protein 19, putative	0.0179	0.045	0.0426
Schistosoma mansoni	hypothetical protein	0.0034	0.0017	0.0015
Schistosoma mansoni	6-phosphofructokinase	0.3366	1	1
Schistosoma mansoni	hypothetical protein	0.0057	0.0084	0.0082
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0066	0.011	0.0108
Mycobacterium tuberculosis	Probable cytochrome P450 140 Cyp140	0.0038	0.0028	0.0037
Mycobacterium ulcerans	cytochrome P450 187A4 Cyp187A4	0.0038	0.0028	0.0012
Trypanosoma cruzi	phosphoglycerate mutase family member 5, putative	0.0057	0.0084	0.0058
Schistosoma mansoni	tar DNA-binding protein	0.0069	0.012	0.0119
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-bisphosphatas, putative	0.0057	0.0084	0.0058
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0061	0.0061
Echinococcus granulosus	dual specificity protein kinase clk2	0.0179	0.045	0.0449
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0026	0.0026
Leishmania major	protein kinase, putative	0.0179	0.045	0.0426
Trypanosoma brucei	Lanosterol 14-alpha demethylase	0.0038	0.0028	0.0002
Mycobacterium tuberculosis	Possible cytochrome P450 135B1 Cyp135B1	0.0038	0.0028	0.0037
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0017	0.0017
Echinococcus multilocularis	muscleblind protein	0.0174	0.0435	0.0433
Echinococcus multilocularis	survival motor neuron protein 1	0.0246	0.0651	0.0649
Trypanosoma brucei	phosphoglycerate mutase protein, putative	0.0057	0.0084	0.0058
Mycobacterium tuberculosis	Possible hydrolase MutT1	0.0057	0.0084	0.0959
Mycobacterium ulcerans	cytochrome P450 143A3 Cyp143A3	0.0038	0.0028	0.0012
Mycobacterium ulcerans	hypothetical protein	0.1987	0.5866	1
Mycobacterium ulcerans	cytochrome P450 150A6 Cyp150A6	0.0038	0.0028	0.0012
Echinococcus granulosus	tumor protein p63	0.0336	0.092	0.0918
Trichomonas vaginalis	phosphoglycerate mutase, putative	0.0057	0.0084	0.0401
Leishmania major	hypothetical protein, conserved	0.0057	0.0084	0.0058
Onchocerca volvulus		0.0049	0.0061	0.0059
Loa Loa (eye worm)	hypoxia-induced factor 1	0.015	0.0362	0.0362
Echinococcus multilocularis	phosphoglycerate mutase	0.0057	0.0084	0.0082
Trypanosoma brucei	Serine/threonine-protein phosphatase PGAM5, mitochondrial, putative	0.0057	0.0084	0.0058
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0109	0.0239	0.1852
Mycobacterium ulcerans	hypothetical protein	0.0037	0.0026	0.0009
Schistosoma mansoni	hypothetical protein	0.0074	0.0136	0.0135
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0066	0.0112	0.0155
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.0102	0.0218	0.0192
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0109	0.0239	0.0239
Mycobacterium tuberculosis	Probable cytochrome P450 132 Cyp132	0.0038	0.0028	0.0037
Trypanosoma brucei	protein kinase, putative	0.0102	0.0218	0.0192
Toxoplasma gondii	phosphoglycerate mutase	0.0057	0.0084	0.1366
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0048	0.0056	0.0056
Toxoplasma gondii	phosphoglycerate mutase family protein	0.0057	0.0084	0.1366
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0066	0.011	0.0108
Schistosoma mansoni	tar DNA-binding protein	0.0069	0.012	0.0119
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0026	0.0026
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0034	0.0017	0.0017
Schistosoma mansoni	survival motor neuron protein	0.005	0.0064	0.0062
Mycobacterium leprae	PROBABLE PHOSPHOGLYCERATE MUTASE 1 GPM1 (PHOSPHOGLYCEROMUTASE) (PGAM) (BPG-DEPENDENT PGAM)	0.0057	0.0084	1
Toxoplasma gondii	phosphoglycerate mutase PGMII	0.0057	0.0084	0.1366
Schistosoma mansoni	serine/threonine protein kinase	0.0179	0.045	0.0449
Trypanosoma brucei	Histidine phosphatase superfamily (branch 1), putative	0.0057	0.0084	0.0058
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.0102	0.0218	0.0218
Echinococcus granulosus	phosphoglycerate mutase	0.0057	0.0084	0.0082
Brugia malayi	TAR-binding protein	0.0069	0.012	0.0925
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0077	0.0144	0.0118
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0034	0.0017	0.0015
Mycobacterium tuberculosis	Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM)	0.0038	0.0028	0.0037
Onchocerca volvulus	Huntingtin homolog	0.0127	0.0296	0.0294
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0066	0.0112	0.0086
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0457	0.1283	0.1283
Onchocerca volvulus		0.005	0.0064	0.0062
Mycobacterium leprae	probable isochorismate synthase EntC	0.0057	0.0084	1
Trypanosoma brucei	kinetoplastid kinetochore protein 10	0.0179	0.045	0.0426
Trypanosoma cruzi	glycerolphosphate mutase, putative	0.0057	0.0084	0.0058
Entamoeba histolytica	phosphoglycerate mutase family protein. putative	0.0057	0.0084	0.0099
Mycobacterium tuberculosis	Probable conserved lipoprotein LpqD	0.0057	0.0084	0.0959
Echinococcus granulosus	survival motor neuron protein 1	0.0246	0.0651	0.0649
Echinococcus multilocularis	muscleblind protein 1	0.0174	0.0435	0.0433
Entamoeba histolytica	phosphoglycerate mutase family protein, putative	0.0057	0.0084	0.0099
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0066	0.0112	0.0155
Brugia malayi	bHLH-PAS transcription factor	0.0036	0.0021	0.015
Trypanosoma cruzi	phosphoglycerate mutase, putative	0.0057	0.0084	0.0058
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0037	0.0026	0.0189
Mycobacterium tuberculosis	Probable cytochrome P450 130 Cyp130	0.0038	0.0028	0.0037
Echinococcus granulosus	tar DNA binding protein	0.0069	0.012	0.0119
Trypanosoma cruzi	Histidine phosphatase superfamily (branch 1), putative	0.0057	0.0084	0.0058
Schistosoma mansoni	hypothetical protein	0.0057	0.0084	0.0082
Plasmodium vivax	SET domain protein, putative	0.0066	0.011	0.1982
Echinococcus multilocularis	phosphoglycerate mutase	0.0057	0.0084	0.0082
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0084	0.0084
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0037	0.0026	0.0024
Echinococcus granulosus	phosphoglycerate mutase	0.0057	0.0084	0.0082
Echinococcus multilocularis	mitogen activated protein kinase	0.0102	0.0218	0.0216
Entamoeba histolytica	tyrosyl-DNA phosphodiesterase, putative	0.0077	0.0144	0.0202
Trypanosoma cruzi	kinetoplastid kinetochore protein 10, putative	0.0179	0.045	0.0426
Onchocerca volvulus		0.0037	0.0026	0.0024
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0084	0.0084
Giardia lamblia	Kinase, CMGC CLK	0.0179	0.045	0.0412
Brugia malayi	Latrophilin receptor protein 2	0.0034	0.0017	0.0117
Onchocerca volvulus		0.0037	0.0026	0.0024
Echinococcus granulosus	beta LACTamase domain containing family member	0.0037	0.0026	0.0024
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0066	0.011	0.0108
Toxoplasma gondii	phosphoglycerate mutase family protein	0.0057	0.0084	0.1366
Loa Loa (eye worm)	cytochrome P450 family protein	0.0055	0.0079	0.0079
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.1436	0.4218	0.4202
Mycobacterium ulcerans	cytochrome P450 142A3 Cyp142A3	0.0038	0.0028	0.0012
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	0.0077	0.0144	0.0142
Loa Loa (eye worm)	RNA binding protein	0.0069	0.012	0.012
Plasmodium falciparum	protein serine/threonine kinase-1	0.0179	0.045	1
Entamoeba histolytica	phosphoglycerate mutase family protein, putative	0.1987	0.5866	1
Schistosoma mansoni	hypothetical protein	0.0038	0.0028	0.0027
Mycobacterium tuberculosis	Conserved protein	0.0057	0.0084	0.0959
Schistosoma mansoni	hypothetical protein	0.0034	0.0017	0.0015
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0034	0.0017	0.0015
Treponema pallidum	phosphoglyceromutase	0.0057	0.0084	0.5
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0048	0.0056	0.0055
Brugia malayi	latrophilin 2 splice variant baaae	0.0074	0.0136	0.1049
Brugia malayi	Pre-SET motif family protein	0.0066	0.011	0.0845
Echinococcus granulosus	geminin	0.0184	0.0466	0.0465
Mycobacterium ulcerans	lipase LipD	0.0037	0.0026	0.0009
Mycobacterium tuberculosis	Probable cytochrome P450 124 Cyp124	0.0038	0.0028	0.0037
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0069	0.012	0.012
Leishmania major	cytochrome p450-like protein	0.0055	0.0079	0.0054
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0034	0.0017	0.0117
Mycobacterium ulcerans	cytochrome P450 191A3 Cyp191A3	0.0038	0.0028	0.0012
Trichomonas vaginalis	phosphoglycerate mutase, putative	0.0057	0.0084	0.0401
Mycobacterium ulcerans	cytochrome P450 51B1 Cyp51B1	0.0038	0.0028	0.0012
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0056	0.0055
Leishmania major	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.3366	1	1
Schistosoma mansoni	neuropeptide receptor	0.0175	0.0439	0.0437
Echinococcus multilocularis	GPCR, family 2	0.0034	0.0017	0.0015
Trypanosoma cruzi	phosphoglycerate mutase, putative	0.0057	0.0084	0.0058
Loa Loa (eye worm)	hypothetical protein	0.0162	0.04	0.04
Mycobacterium ulcerans	phosphoglycerate mutase	0.0057	0.0084	0.0108
Brugia malayi	Cytochrome P450 family protein	0.0055	0.0079	0.0606
Plasmodium vivax	phosphoglucomutase-2, putative	0.0057	0.0084	0.1366
Echinococcus multilocularis	tumor protein p63	0.0336	0.092	0.0918
Brugia malayi	Protein kinase domain containing protein	0.0179	0.045	0.3497
Trichomonas vaginalis	conserved hypothetical protein	0.0057	0.0084	0.0401
Loa Loa (eye worm)	cytochrome P450 family protein	0.0055	0.0079	0.0079
Echinococcus multilocularis	transfer RNA-Lys	0.0036	0.0021	0.0019
Echinococcus granulosus	histone lysine methyltransferase setb	0.0066	0.011	0.0108
Schistosoma mansoni	serine/threonine protein kinase	0.0102	0.0218	0.0216
Mycobacterium tuberculosis	Probable cytochrome P450 143 Cyp143	0.0038	0.0028	0.0037
Toxoplasma gondii	phosphoglycerate mutase family protein	0.0057	0.0084	0.1366
Loa Loa (eye worm)	hypothetical protein	0.0174	0.0435	0.0435
Echinococcus granulosus	GPCR family 2	0.0034	0.0017	0.0015
Brugia malayi	hypothetical protein	0.0037	0.0026	0.0189
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0048	0.0056	0.0055
Leishmania major	phosphoglycerate mutase family member 5, putative	0.0057	0.0084	0.0058
Brugia malayi	beta-lactamase family protein	0.0037	0.0026	0.0189
Mycobacterium ulcerans	phosphoglyceromutase	0.0057	0.0084	0.0108
Loa Loa (eye worm)	cytochrome P450 family protein	0.0094	0.0197	0.0197
Loa Loa (eye worm)	hypothetical protein	0.3309	0.983	0.983
Mycobacterium leprae	conserved hypothetical protein	0.0057	0.0084	1
Trypanosoma cruzi	Histidine phosphatase superfamily (branch 1), putative	0.0057	0.0084	0.0058
Brugia malayi	cytochrome P450	0.0038	0.0028	0.0207
Toxoplasma gondii	aldehyde dehydrogenase	0.0066	0.0112	0.2022
Leishmania major	tyrosyl-DNA phosphodiesterase 1	0.0077	0.0144	0.0118
Schistosoma mansoni	single-minded	0.0048	0.0059	0.0057
Schistosoma mansoni	tar DNA-binding protein	0.0069	0.012	0.0119
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0066	0.0112	0.011
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0077	0.0144	0.0118
Onchocerca volvulus		0.0066	0.011	0.0108
Leishmania major	fructose-6-phosphate2-kinase/fructose-2,6-bisph os phatase-likeprotein	0.0057	0.0084	0.0058
Schistosoma mansoni	hypothetical protein	0.005	0.0064	0.0062
Onchocerca volvulus	Protein UBASH3A homolog	0.0057	0.0084	0.0082
Onchocerca volvulus	Protein UBASH3A homolog	0.0057	0.0084	0.0082
Schistosoma mansoni	aryl hydrocarbon receptor	0.0048	0.0059	0.0057
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0029	0.0002	0.0002
Mycobacterium ulcerans	esterase/lipase LipP	0.0037	0.0026	0.0009
Mycobacterium ulcerans	acid phosphatase	0.0057	0.0084	0.0108
Mycobacterium ulcerans	cytochrome P450 188A3 Cyp188A3	0.0038	0.0028	0.0012
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.0102	0.0218	0.0192
Schistosoma mansoni	hypothetical protein	0.0184	0.0466	0.0465
Trypanosoma cruzi	phosphoglycerate mutase protein, putative	0.0057	0.0084	0.0058
Brugia malayi	MH2 domain containing protein	0.0253	0.0672	0.5226
Onchocerca volvulus		0.0057	0.0084	0.0082
Trypanosoma cruzi	Histidine phosphatase superfamily (branch 1), putative	0.0057	0.0084	0.0058
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0056	0.0055
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0055	0.0079	0.01
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0066	0.0112	0.1419
Echinococcus granulosus	phosphoglycerate mutase	0.0057	0.0084	0.0082
Trichomonas vaginalis	phosphoglycerate mutase, putative	0.0057	0.0084	0.0401
Entamoeba histolytica	phosphoglycerate mutase family protein, putative	0.0057	0.0084	0.0099
Echinococcus multilocularis	phosphoglycerate mutase	0.0057	0.0084	0.0082
Mycobacterium leprae	Conserved hypothetical protein	0.0038	0.0028	0.0382
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0026	0.0026
Mycobacterium tuberculosis	Glucosyl-3-phosphoglycerate phosphatase GpgP	0.0057	0.0084	0.0959
Echinococcus multilocularis		0.0177	0.0444	0.0442
Echinococcus granulosus	phosphoglycerate mutase	0.0057	0.0084	0.0082
Loa Loa (eye worm)	TAR-binding protein	0.0069	0.012	0.012
Loa Loa (eye worm)	transcription factor SMAD2	0.0253	0.0672	0.0672
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0239	0.0631	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0037	0.0026	0.0024
Leishmania major	phosphoglycerate mutase protein, putative	0.0057	0.0084	0.0058
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0048	0.0056	0.0426
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0066	0.011	0.0108
Echinococcus granulosus	serine:threonine protein phosphatase PGAM5	0.0057	0.0084	0.0082
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.0102	0.0218	0.452
Mycobacterium ulcerans	cytochrome P450 124A1, Cyp124A1	0.0038	0.0028	0.0012
Mycobacterium ulcerans	lipoprotein LpqD	0.0057	0.0084	0.0108
Onchocerca volvulus		0.0037	0.0026	0.0024
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0066	0.0112	0.0155
Loa Loa (eye worm)	hypothetical protein	0.0177	0.0444	0.0444
Schistosoma mansoni	hypothetical protein	0.0034	0.0017	0.0015
Mycobacterium leprae	Probable phosphoglycerate mutase (phosphoglyceromutase) (phosphoglycerate phosphomutase)	0.0057	0.0084	1
Brugia malayi	Cytochrome P450 family protein	0.0038	0.0028	0.0207
Onchocerca volvulus		0.3366	1	1
Mycobacterium ulcerans	cytochrome p450 150 cyp150	0.0038	0.0028	0.0012
Mycobacterium ulcerans	cytochrome P450 144A4 Cyp144A4	0.0038	0.0028	0.0012
Onchocerca volvulus		0.0057	0.0084	0.0082
Trypanosoma cruzi	phosphoglycerate mutase protein, putative	0.0057	0.0084	0.0058
Toxoplasma gondii	cell-cycle-associated protein kinase CLK, putative	0.0179	0.045	1
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.0102	0.0218	0.0192
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.3366	1	1
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0063	0.0103	0.0101
Mycobacterium ulcerans	cytochrome P450 189A7 Cyp189A7	0.0038	0.0028	0.0012

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 4 uM	Cytotoxicity against human HepG2 cells after 48 hrs	ChEMBL.	17665952
IC50 (functional)	= 4 uM	Cytotoxicity against human HepG2 cells after 48 hrs	ChEMBL.	17665952
IC50 (functional)	= 6.2 uM	Cytotoxicity against human MKN45 cells after 48 hrs	ChEMBL.	17665952
IC50 (functional)	= 6.2 uM	Cytotoxicity against human MKN45 cells after 48 hrs	ChEMBL.	17665952
IC50 (functional)	= 7.6 uM	Cytotoxicity against human K562 cells after 48 hrs	ChEMBL.	17665952
IC50 (functional)	= 7.6 uM	Cytotoxicity against human K562 cells after 48 hrs	ChEMBL.	17665952

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	17665952

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

PubChem: 11057179

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 504149