TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 612.624 | Formula: C31H36N2O11
H donors: 4 H acceptors: 5 LogP: 3.15 Rotable bonds: 9
Rule of 5 violations (Lipinski): 2
SMILES: CO[C@@H]1[C@@H](OC(=O)N)[C@@H](O)[C@@H](OC1(C)C)Oc1ccc2c(c1C)oc(=O)c(c2O)NC(=O)c1ccc2c(c1)CC(O2)C(C)C
InChi: 1S/C31H36N2O11/c1-13(2)20-12-16-11-15(7-9-19(16)40-20)27(36)33-21-22(34)17-8-10-18(14(3)24(17)42-28(21)37)41-29-23(35)25(43-30(32)38)26(39-6)31(4,5)44-29/h7-11,13,20,23,25-26,29,34-35H,12H2,1-6H3,(H2,32,38)(H,33,36)/t20?,23-,25+,26-,29-/m1/s1
InChiKey: YNRLZXZXAKJHIR-KJNXQIJGSA-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	Latrophilin receptor protein 2	0.0066	0.0358	0.0335
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0197	0.0147
Echinococcus granulosus	snurportin 1	0.0332	0.2671	0.8208
Schistosoma mansoni	bromodomain containing protein	0.0071	0.0399	0.0398
Schistosoma mansoni	tar DNA-binding protein	0.0399	0.3254	0.3253
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.005	0.0219	0.0671
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.0058	0.0285	0.0875
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0083	0.0507	1
Loa Loa (eye worm)	hypothetical protein	0.0079	0.0472	0.0423
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0083	0.0507	0.1886
Onchocerca volvulus		0.0464	0.3826	1
Echinococcus granulosus	beta LACTamase domain containing family member	0.0038	0.0113	0.0344
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0083	0.0507	0.4308
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0113	0.0062
Brugia malayi	RNA recognition motif domain containing protein	0.0399	0.3254	0.3238
Mycobacterium leprae	conserved hypothetical protein	0.0038	0.0113	0.0738
Mycobacterium leprae	Probable lipase LipE	0.0038	0.0113	0.0738
Schistosoma mansoni	hypothetical protein	0.0332	0.2671	0.267
Trichomonas vaginalis	glutaminase, putative	0.1173	1	1
Echinococcus multilocularis	snurportin 1	0.0332	0.2671	0.8208
Brugia malayi	mbt repeat family protein	0.0051	0.0224	0.02
Echinococcus multilocularis	tar DNA binding protein	0.0399	0.3254	1
Loa Loa (eye worm)	TAR-binding protein	0.0399	0.3254	0.3219
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.0051	0.0224	0.0223
Entamoeba histolytica	hypothetical protein	0.0118	0.0806	0.3149
Schistosoma mansoni	hypothetical protein	0.0187	0.1405	0.1404
Onchocerca volvulus	Polycomb protein Sfmbt homolog	0.0051	0.0224	0.03
Schistosoma mansoni	tar DNA-binding protein	0.0399	0.3254	0.3253
Echinococcus granulosus	geminin	0.0187	0.1405	0.4316
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.021	0.1606	0.1585
Echinococcus multilocularis	GPCR, family 2	0.0066	0.0358	0.1098
Echinococcus multilocularis	geminin	0.0187	0.1405	0.4316
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0066	0.0358	0.1098
Echinococcus multilocularis	polycomb protein SCMH1	0.0051	0.0224	0.0686
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0113	0.0062
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0055	0.0257	0.0788
Schistosoma mansoni	tar DNA-binding protein	0.0399	0.3254	0.3253
Echinococcus granulosus	importin subunit beta 1	0.0031	0.0051	0.0155
Schistosoma mansoni	lozenge	0.0058	0.0288	0.0287
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0118	0.0806	0.2474
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0066	0.0358	0.1098
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.005	0.0219	0.0671
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0156	0.1137	0.1036
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0113	0.0062
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0319	0.2558	0.2558
Toxoplasma gondii	HEAT repeat-containing protein	0.0031	0.0051	0.0426
Mycobacterium ulcerans	glutaminase	0.1173	1	1
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.004	0.0132	0.0402
Loa Loa (eye worm)	mbt repeat family protein	0.0051	0.0224	0.0174
Loa Loa (eye worm)	hypothetical protein	0.0464	0.3826	0.3794
Schistosoma mansoni	hypothetical protein	0.0143	0.1028	0.1027
Schistosoma mansoni	hypothetical protein	0.0066	0.0358	0.0357
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0319	0.2558	0.2558
Trichomonas vaginalis	D-aminoacylase, putative	0.0038	0.0113	0.0113
Echinococcus granulosus	tar DNA binding protein	0.0399	0.3254	1
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0179	0.0128
Schistosoma mansoni	importin beta-1	0.0031	0.0051	0.005
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0156	0.1137	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.005	0.0219	0.0218
Trypanosoma brucei	hypothetical protein, conserved	0.0038	0.0113	1
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0083	0.0507	0.5
Brugia malayi	RNA, U transporter 1	0.0088	0.055	0.0528
Plasmodium vivax	hypothetical protein, conserved	0.0038	0.0113	0.1714
Loa Loa (eye worm)	hypothetical protein	0.021	0.1606	0.1562
Schistosoma mansoni	tar DNA-binding protein	0.0399	0.3254	0.3253
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0156	0.1137	0.5724
Trichomonas vaginalis	esterase, putative	0.0038	0.0113	0.0113
Echinococcus granulosus	GPCR family 2	0.0066	0.0358	0.1098
Plasmodium falciparum	importin beta, putative	0.0031	0.0051	0.0426
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0332	0.2671	0.2633
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0507	0.0459
Plasmodium vivax	importin-beta 2, putative	0.0031	0.0051	0.0426
Loa Loa (eye worm)	glutaminase	0.1173	1	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0319	0.2558	0.2558
Leishmania major	hypothetical protein, conserved	0.0038	0.0113	1
Brugia malayi	beta-lactamase family protein	0.0038	0.0113	0.0089
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0118	0.0806	0.2474
Loa Loa (eye worm)	glutaminase 2	0.1173	1	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0319	0.2558	0.2558
Schistosoma mansoni	hypothetical protein	0.0066	0.0358	0.0357
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.0055	0.0257	0.2044
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0113	0.0062
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.0205	0.1563	0.4803
Schistosoma mansoni	sex comb on midleg homolog	0.0051	0.0224	0.0223
Schistosoma mansoni	hypothetical protein	0.0118	0.0806	0.0805
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.021	0.1606	0.1562
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.005	0.0219	0.0218
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0113	0.0062
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0358	0.0308
Brugia malayi	Bromodomain containing protein	0.0084	0.0513	0.0491
Schistosoma mansoni	transcription factor LCR-F1	0.0118	0.0806	0.0805
Schistosoma mansoni	peptidase Clp (S14 family)	0.0083	0.0507	0.0507
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0058	0.0285	0.0262
Brugia malayi	beta-lactamase	0.0038	0.0113	0.0089
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0319	0.2558	0.2558
Trichomonas vaginalis	penicillin-binding protein, putative	0.0038	0.0113	0.0113
Brugia malayi	mbt repeat family protein	0.0051	0.0224	0.02
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0038	0.0113	0.0062
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0399	0.3254	0.3219
Echinococcus multilocularis	importin subunit beta 1	0.0031	0.0051	0.0155
Entamoeba histolytica	hypothetical protein	0.0118	0.0806	0.3149
Echinococcus granulosus	histone acetyltransferase MYST2	0.0058	0.0285	0.0875
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0113	0.0062
Brugia malayi	TAR-binding protein	0.0399	0.3254	0.3238
Entamoeba histolytica	hypothetical protein	0.0118	0.0806	0.3149
Brugia malayi	Bromodomain containing protein	0.0043	0.0155	0.0131
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0038	0.0113	0.0089
Brugia malayi	RNA binding protein	0.0399	0.3254	0.3238
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.005	0.0219	0.0671
Loa Loa (eye worm)	runx1	0.0058	0.0288	0.0238
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0058	0.0285	0.0285
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0155	0.0105
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0319	0.2558	0.2558
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0244	0.1903	1
Schistosoma mansoni	hypothetical protein	0.0066	0.0358	0.0357
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0066	0.0358	0.0335
Entamoeba histolytica	hypothetical protein	0.0118	0.0806	0.3149
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0224	0.0174
Brugia malayi	hypothetical protein	0.0464	0.3826	0.3811
Loa Loa (eye worm)	beta-lactamase	0.0038	0.0113	0.0062
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.0205	0.1563	0.4803
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0083	0.0507	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0038	0.0113	0.0112
Echinococcus granulosus	SAM and MBT domain containing protein	0.0051	0.0224	0.0686
Trichomonas vaginalis	D-aminoacylase, putative	0.0038	0.0113	0.0113
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0038	0.0113	0.0112
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0319	0.2558	1
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0083	0.0507	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.021	0.1606	0.1585
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.005	0.0219	0.0218
Toxoplasma gondii	ABC1 family protein	0.0038	0.0113	0.1714
Echinococcus granulosus	polycomb protein SCMH1	0.0051	0.0224	0.0686
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0038	0.0113	0.0344
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.0055	0.0257	0.0807
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0319	0.2558	0.2558
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.005	0.0219	0.0169
Echinococcus multilocularis	SAM and MBT domain containing protein	0.0051	0.0224	0.0686
Brugia malayi	hypothetical protein	0.0118	0.0806	0.0783
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0083	0.0507	0.5
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0083	0.0507	0.1558
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0066	0.0358	0.1098
Loa Loa (eye worm)	hypothetical protein	0.0143	0.1028	0.0982
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0083	0.0507	0.0399
Schistosoma mansoni	tar DNA-binding protein	0.0399	0.3254	0.3253
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0083	0.0507	1
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0083	0.0507	0.5
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.0058	0.0285	0.0875
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0285	0.0235
Brugia malayi	latrophilin 2 splice variant baaae	0.0143	0.1028	0.1007
Schistosoma mansoni	sex comb on midleg homolog	0.0051	0.0224	0.0223
Schistosoma mansoni	hypothetical protein	0.0187	0.1405	0.1404
Trichomonas vaginalis	penicillin-binding protein, putative	0.0038	0.0113	0.0113
Brugia malayi	beta-lactamase family protein	0.0038	0.0113	0.0089
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.0055	0.0257	0.0807
Loa Loa (eye worm)	MBCTL1	0.0058	0.0285	0.0235
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0319	0.2558	1
Brugia malayi	Probable ClpP-like protease	0.0083	0.0507	0.0485
Schistosoma mansoni	glutaminase	0.1173	1	1
Loa Loa (eye worm)	RNA binding protein	0.0399	0.3254	0.3219
Schistosoma mansoni	hypothetical protein	0.0314	0.2511	0.2511
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0067	0.0364	0.1116
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0066	0.0358	0.0308
Trypanosoma cruzi	hypothetical protein, conserved	0.0038	0.0113	1
Echinococcus granulosus	peptidase Clp S14 family	0.0055	0.0257	0.0788
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0058	0.0285	0.0875
Echinococcus multilocularis	Protein lozenge	0.0058	0.0288	0.0883
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0066	0.0358	0.1098
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0319	0.2558	0.2558
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.005	0.0219	0.0196
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0083	0.0507	0.0399
Loa Loa (eye worm)	hypothetical protein	0.0464	0.3826	0.3794
Treponema pallidum	fructose-bisphosphate aldolase	0.0319	0.2558	1
Schistosoma mansoni	hypothetical protein	0.0066	0.0358	0.0357
Brugia malayi	Importin beta-1 subunit	0.0031	0.0051	0.0027
Trichomonas vaginalis	D-aminoacylase, putative	0.0038	0.0113	0.0113
Trypanosoma cruzi	hypothetical protein, conserved	0.0038	0.0113	1
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0083	0.0507	0.1558
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.005	0.0219	0.0671
Giardia lamblia	Fructose-bisphosphate aldolase	0.0319	0.2558	0.5
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0067	0.0364	0.1116
Onchocerca volvulus		0.0051	0.0224	0.03
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.004	0.0132	0.0402

Activities

No activities found for this compound.

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

ChEMBL: CHEMBL1097288

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 1125920