TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 791.88 | Formula: C43H53NO13
H donors: 4 H acceptors: 8 LogP: 3.02 Rotable bonds: 14
Rule of 5 violations (Lipinski): 2
SMILES: O=C(C[C@@H](c1ccccc1)NC(=O)OC(C)(C)C)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@@H]3[C@@]4(CO[C@@H]4C[C@@H]([C@]3(C(=O)[C@@H](C(=C1C)C2(C)C)O)C)O)OC(=O)C
InChi: 1S/C43H53NO13/c1-23-28(54-31(47)19-27(25-15-11-9-12-16-25)44-38(51)57-39(3,4)5)21-43(52)36(55-37(50)26-17-13-10-14-18-26)34-41(8,35(49)33(48)32(23)40(43,6)7)29(46)20-30-42(34,22-53-30)56-24(2)45/h9-18,27-30,33-34,36,46,48,52H,19-22H2,1-8H3,(H,44,51)/t27-,28-,29-,30+,33+,34-,36-,41+,42-,43+/m0/s1
InChiKey: AOSDGBKLVUTSGI-MWLIZFFTSA-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
Brugia malayi	Peptidase family M1 containing protein	0.0052	0.0299	0.0669
Loa Loa (eye worm)	hypothetical protein	0.003	0.0071	0.0071
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0158	0.0158
Entamoeba histolytica	heat shock transcription factor, putative	0.0203	0.1859	0.6831
Schistosoma mansoni	lamin	0.0027	0.0033	0.0033
Plasmodium vivax	M1-family alanyl aminopeptidase, putative	0.0052	0.0299	0.8161
Brugia malayi	jmjC domain containing protein	0.0025	0.0014	0.0031
Schistosoma mansoni	leukotriene A4 hydrolase (M01 family)	0.0986	1	1
Brugia malayi	Pre-SET motif family protein	0.0059	0.0366	0.0819
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.0052	0.0299	0.0648
Plasmodium falciparum	M1-family alanyl aminopeptidase	0.0052	0.0299	1
Trypanosoma cruzi	JmjC domain, hydroxylase, putative	0.0025	0.0014	0.0457
Brugia malayi	HSF-type DNA-binding domain containing protein	0.0203	0.1859	0.4164
Brugia malayi	Intermediate filament tail domain containing protein	0.0027	0.0033	0.0074
Brugia malayi	Bromodomain containing protein	0.0029	0.0056	0.0125
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0299	0.0299
Echinococcus multilocularis	phd:f box containing protein	0.0025	0.0014	0.0014
Toxoplasma gondii	histone lysine demethylase JMJD6a	0.0025	0.0014	0.0373
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0285	0.2721	1
Brugia malayi	TATA binding protein associated factor	0.0052	0.0299	0.0669
Loa Loa (eye worm)	PHD-finger family protein	0.0029	0.0056	0.0056
Trichomonas vaginalis	chromobox protein, putative	0.0069	0.0474	0.103
Echinococcus granulosus	JmjC domain containing protein 4	0.0025	0.0014	0.0014
Entamoeba histolytica	heat shock transcription factor, putative	0.0203	0.1859	0.6831
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0153	0.1349	0.1349
Echinococcus granulosus	intermediate filament protein	0.0027	0.0033	0.0033
Plasmodium vivax	SET domain protein, putative	0.0059	0.0366	1
Echinococcus multilocularis	PHD finger protein rhinoceros	0.0029	0.0056	0.0056
Brugia malayi	jmjC domain containing protein	0.0025	0.0014	0.0031
Schistosoma mansoni	protein phosphatase 2C	0.0025	0.0014	0.0014
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0059	0.0366	0.0366
Onchocerca volvulus		0.003	0.0071	0.0082
Schistosoma mansoni	ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related	0.0025	0.0014	0.0014
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.005	0.027	0.0604
Loa Loa (eye worm)	jmjC domain-containing protein	0.0025	0.0014	0.0014
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0285	0.2721	0.5906
Brugia malayi	Peptidase family M1 containing protein	0.0052	0.0299	0.0669
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0285	0.2721	0.5906
Treponema pallidum	fructose-bisphosphate aldolase	0.0285	0.2721	0.5
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0052	0.0299	0.0299
Echinococcus multilocularis	lysine specific demethylase 5A	0.0094	0.0727	0.0727
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0033	0.0033
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0059	0.0366	0.0366
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0052	0.0299	0.0299
Trichomonas vaginalis	chromobox protein, putative	0.0042	0.0189	0.0409
Echinococcus multilocularis	JmjC domain containing protein 4	0.0025	0.0014	0.0014
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0039	0.0158	0.0273
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.005	0.027	0.027
Toxoplasma gondii	aminopeptidase n, putative	0.0052	0.0299	0.8161
Trypanosoma cruzi	JmjC domain, hydroxylase, putative	0.0025	0.0014	0.0457
Echinococcus multilocularis	leukotriene A 4 hydrolase	0.0986	1	1
Trypanosoma brucei	Aminopeptidase M1, putative	0.0052	0.0299	1
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0366	0.0366
Trypanosoma brucei	aminopeptidase, putative	0.0052	0.0299	1
Trypanosoma cruzi	Aminopeptidase M1, putative	0.0052	0.0299	1
Trichomonas vaginalis	conserved hypothetical protein	0.0027	0.004	0.0087
Loa Loa (eye worm)	leukotriene A4 hydrolase	0.0986	1	1
Trypanosoma cruzi	puromycin-sensitive aminopeptidase-like protein, putative	0.0052	0.0299	1
Giardia lamblia	PHD finger protein 15	0.0029	0.0056	0.0204
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0139	0.1204	0.5
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0014	0.0014
Schistosoma mansoni	phosphatidylserine receptor	0.0025	0.0014	0.0014
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.0029	0.0056	0.0056
Trypanosoma brucei	JmjC domain, hydroxylase, putative	0.0025	0.0014	0.0457
Echinococcus granulosus	lysine specific demethylase 5A	0.0094	0.0727	0.0727
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0059	0.0366	0.0366
Trichomonas vaginalis	conserved hypothetical protein	0.0039	0.0158	0.0343
Loa Loa (eye worm)	TATA binding protein associated factor	0.0052	0.0299	0.0299
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0027	0.0033	0.0033
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0285	0.2721	1
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0299	0.0299
Loa Loa (eye worm)	hypothetical protein	0.0065	0.0433	0.0433
Schistosoma mansoni	chromobox protein	0.0069	0.0474	0.0474
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.0052	0.0299	0.0299
Schistosoma mansoni	aminopeptidase A (M01 family)	0.0052	0.0299	0.0299
Trichomonas vaginalis	set domain proteins, putative	0.0467	0.4607	1
Brugia malayi	intermediate filament protein	0.0027	0.0033	0.0074
Trypanosoma brucei	Aminopeptidase M1, putative	0.0052	0.0299	1
Schistosoma mansoni	lamin	0.0027	0.0033	0.0033
Leishmania major	hypothetical protein, conserved	0.0025	0.0014	0.0457
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0285	0.2721	0.5906
Schistosoma mansoni	jumonji domain containing protein	0.0025	0.0014	0.0014
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0052	0.0299	0.0299
Schistosoma mansoni	phd/f-box containing protein	0.0025	0.0014	0.0014
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0285	0.2721	0.5906
Schistosoma mansoni	jumonji domain containing protein	0.0134	0.1146	0.1146
Leishmania major	aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1	0.0052	0.0299	1
Leishmania major	puromycin-sensitive aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1	0.0052	0.0299	1
Onchocerca volvulus		0.0052	0.0299	0.0581
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0052	0.0299	0.0299
Brugia malayi	Heterochromatin protein 1	0.0069	0.0474	0.1063
Plasmodium falciparum	JmjC domain-containing protein, putative	0.0025	0.0014	0.0457
Brugia malayi	Calcitonin receptor-like protein seb-1	0.005	0.027	0.0604
Schistosoma mansoni	hypothetical protein	0.0029	0.0056	0.0056
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.0052	0.0299	0.0648
Brugia malayi	Peptidase family M1 containing protein	0.0052	0.0299	0.0669
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0052	0.0299	0.0299
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0299	0.0299
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0052	0.0299	0.0299
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0059	0.0366	0.0366
Loa Loa (eye worm)	jmjC domain-containing protein	0.0025	0.0014	0.0014
Echinococcus multilocularis	lamin	0.0027	0.0033	0.0033
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0285	0.2721	0.5906
Echinococcus granulosus	peregrin	0.0029	0.0056	0.0056
Brugia malayi	chromobox protein homolog 3	0.0039	0.0158	0.0354
Loa Loa (eye worm)	jmjC domain-containing protein	0.0025	0.0014	0.0014
Entamoeba histolytica	heat shock transcription factor, putative	0.0203	0.1859	0.6831
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0057	0.0343	0.0343
Brugia malayi	hypothetical protein	0.0052	0.0299	0.0669
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0139	0.1204	1
Leishmania major	aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1	0.0052	0.0299	1
Onchocerca volvulus		0.0052	0.0299	0.0581
Echinococcus multilocularis	musashi	0.0027	0.0033	0.0033
Brugia malayi	jmjC domain containing protein	0.0153	0.1349	0.3022
Echinococcus multilocularis	chromobox protein 1	0.0069	0.0474	0.0474
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0042	0.0189	0.034
Loa Loa (eye worm)	aminopeptidase N	0.0052	0.0299	0.0299
Onchocerca volvulus		0.007	0.0484	0.0985
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.041	0.4018	0.4018
Echinococcus multilocularis	lysine specific demethylase 6a	0.0025	0.0014	0.0014
Giardia lamblia	Fructose-bisphosphate aldolase	0.0285	0.2721	1
Trypanosoma brucei	metallo-peptidase, Clan MA(E) Family M1	0.0052	0.0299	1
Loa Loa (eye worm)	jmjC domain-containing protein	0.0094	0.0727	0.0727
Schistosoma mansoni	intermediate filament proteins	0.0027	0.0033	0.0033
Plasmodium falciparum	phd finger protein, putative	0.0029	0.0056	0.1862
Toxoplasma gondii	aminopeptidase N, putative	0.0052	0.0299	0.8161
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0285	0.2721	0.5906
Trichomonas vaginalis	conserved hypothetical protein	0.0039	0.0158	0.0343
Loa Loa (eye worm)	peptidase family M1 containing protein	0.0052	0.0299	0.0299
Trichomonas vaginalis	conserved hypothetical protein	0.0027	0.004	0.0087
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0059	0.0366	0.0366
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0028	0.0028
Schistosoma mansoni	Tata binding protein associated factor (M01 family)	0.0052	0.0299	0.0299
Echinococcus granulosus	jumonji domain containing 1A	0.0025	0.0014	0.0014
Brugia malayi	jmjC domain containing protein	0.0094	0.0727	0.1628
Echinococcus multilocularis	lamin dm0	0.0027	0.0033	0.0033
Leishmania major	aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1	0.0052	0.0299	1
Trichomonas vaginalis	chromobox protein, putative	0.0069	0.0474	0.103
Trypanosoma cruzi	metallo-peptidase, clan MA(E), family M1, putative	0.0052	0.0299	1
Echinococcus multilocularis	Jumonji, AT rich interactive domain 1B	0.0025	0.0014	0.0014
Brugia malayi	hypothetical protein	0.0052	0.0299	0.0669
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0107	0.0107
Trypanosoma cruzi	aminopeptidase, putative	0.0052	0.0299	1
Schistosoma mansoni	chromobox protein	0.0069	0.0474	0.0474
Echinococcus granulosus	jumonji domain containing protein	0.004	0.0174	0.0174
Trypanosoma cruzi	aminopeptidase, putative	0.0052	0.0299	1
Echinococcus granulosus	PHD finger protein rhinoceros	0.0029	0.0056	0.0056
Entamoeba histolytica	aminopeptidase, putative	0.0052	0.0299	0.1097
Brugia malayi	hypothetical protein	0.0453	0.4465	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.0107	0.0239
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0285	0.2721	0.5906
Plasmodium falciparum	M1-family alanyl aminopeptidase, putative	0.0052	0.0299	1
Echinococcus multilocularis	chromobox protein 1	0.0069	0.0474	0.0474
Echinococcus multilocularis	peregrin	0.0029	0.0056	0.0056
Brugia malayi	jmjC domain containing protein	0.0025	0.0014	0.0031
Schistosoma mansoni	hypothetical protein	0.0034	0.0107	0.0107
Trypanosoma cruzi	metallo-peptidase, clan MA(E), family M1, putative	0.0052	0.0299	1
Echinococcus granulosus	Jumonji AT rich interactive domain 1B	0.0025	0.0014	0.0014
Onchocerca volvulus	Heat shock factor protein 2 homolog	0.0203	0.1859	0.3992
Loa Loa (eye worm)	jmjC domain-containing protein	0.006	0.0376	0.0376
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0014	0.0014
Trypanosoma cruzi	puromycin-sensitive aminopeptidase-like protein, putative	0.0052	0.0299	1
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0059	0.0366	1
Echinococcus granulosus	chromobox protein 1	0.0069	0.0474	0.0474
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.007	0.0484	0.0484
Schistosoma mansoni	cytosol alanyl aminopeptidase (M01 family)	0.0052	0.0299	0.0299
Echinococcus multilocularis	Peptidase M1, membrane alanine aminopeptidase, N terminal	0.0052	0.0299	0.0299
Echinococcus multilocularis	jumonji domain containing protein	0.004	0.0174	0.0174
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0052	0.0299	0.0299
Plasmodium vivax	M1-family alanyl aminopeptidase, putative	0.0052	0.0299	0.8161
Toxoplasma gondii	aminopeptidase N protein	0.0052	0.0299	0.8161
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0153	0.1349	0.1349
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0052	0.0299	0.0299
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.0052	0.0299	0.0648
Plasmodium vivax	hypothetical protein, conserved	0.0029	0.0056	0.152
Loa Loa (eye worm)	heterochromatin protein 1	0.0069	0.0474	0.0474
Brugia malayi	jmjC domain containing protein	0.0025	0.0014	0.0031
Echinococcus granulosus	lamin	0.0027	0.0033	0.0033
Onchocerca volvulus		0.0052	0.0299	0.0581
Echinococcus granulosus	chromobox protein 1	0.0069	0.0474	0.0474
Trypanosoma cruzi	metallo-peptidase, Clan MA(E) Family M1	0.0052	0.0299	1
Trichomonas vaginalis	chromobox protein, putative	0.0042	0.0189	0.0409
Echinococcus granulosus	lamin dm0	0.0027	0.0033	0.0033
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0094	0.0727	0.0727
Onchocerca volvulus	Alhambra homolog	0.0029	0.0056	0.0049
Toxoplasma gondii	histone lysine demethylase JMJC1/KDM5D/JARID1D	0.0025	0.0014	0.0373
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0285	0.2721	0.5906
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0056	0.0056
Echinococcus granulosus	histone lysine methyltransferase setb	0.0059	0.0366	0.0366
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0052	0.0299	0.0299
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0094	0.0727	0.0727
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0052	0.0299	0.0299
Echinococcus granulosus	lysine specific demethylase 6a	0.0025	0.0014	0.0014
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0052	0.0299	0.0299
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0139	0.1204	0.5
Loa Loa (eye worm)	intermediate filament protein	0.0027	0.0033	0.0033
Loa Loa (eye worm)	hypothetical protein	0.0203	0.1859	0.1859
Loa Loa (eye worm)	hypothetical protein	0.005	0.027	0.027
Onchocerca volvulus		0.0467	0.4607	1
Echinococcus granulosus	aminopeptidase N	0.0052	0.0299	0.0299
Echinococcus multilocularis	aminopeptidase N	0.0052	0.0299	0.0299
Brugia malayi	PHD-finger family protein	0.0029	0.0056	0.0125
Plasmodium vivax	JmjC domain containing protein	0.0025	0.0014	0.0373
Brugia malayi	Pre-SET motif family protein	0.041	0.4018	0.9
Echinococcus granulosus	phd:f box containing protein	0.0025	0.0014	0.0014
Toxoplasma gondii	PHD-finger domain-containing protein	0.0029	0.0056	0.152
Echinococcus multilocularis	jumonji domain containing 1A	0.0025	0.0014	0.0014
Toxoplasma gondii	PHD-finger domain-containing protein	0.0029	0.0056	0.152

Activities

Activity type	Activity value	Assay description	Source	Reference
ID50 ratio (binding)	= 2.3	Binding affinity to microtubules, activity expressed as ID50 of compound/ID50 of paclitaxel	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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

No external resources registered for this compound

Bibliographic References

No literature references available for this target.

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Detailed information for compound 113156