TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 441.517 | Formula: C25H31NO6
H donors: 2 H acceptors: 2 LogP: 3.44 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc(CNCC([C@H]2CCC3=Cc4c(O[C@H]3C2)cc(oc4=O)C)C)cc(c1O)OC
InChi: 1S/C25H31NO6/c1-14(12-26-13-16-8-22(29-3)24(27)23(9-16)30-4)17-5-6-18-10-19-21(32-20(18)11-17)7-15(2)31-25(19)28/h7-10,14,17,20,26-27H,5-6,11-13H2,1-4H3/t14?,17-,20-/m0/s1
InChiKey: GUXZSZAPDLNKGB-DRWNPLCXSA-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
Onchocerca volvulus	Polycomb protein Sfmbt homolog	0.0047	0.0286	0.2049
Mycobacterium leprae	PROBABLE INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE GUAB1(IMP DEHYDROGENASE) (IMPDH) (IMPD)	0.0037	0.0156	0.0659
Loa Loa (eye worm)	hypothetical protein	0.0073	0.0609	0.2043
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0073	0.0609	0.0891
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.0047	0.0286	0.0711
Brugia malayi	mbt repeat family protein	0.0047	0.0286	0.096
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.006	0.0451	0.1368
Leishmania major	inosine-5-monophosphate dehydrogenase	0.0079	0.0683	1
Schistosoma mansoni	survival motor neuron protein	0.005	0.032	0.0814
Trypanosoma cruzi	hypothetical protein, conserved	0.0073	0.0609	0.8918
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.005	0.032	0.1075
Loa Loa (eye worm)	IMP dehydrogenase 1	0.0079	0.0683	0.2291
Brugia malayi	PHD-finger family protein	0.0029	0.005	0.0169
Schistosoma mansoni	jumonji domain containing protein	0.0076	0.0645	0.1791
Mycobacterium ulcerans	beta-lactamase	0.0073	0.0609	0.8598
Toxoplasma gondii	aldehyde dehydrogenase	0.006	0.0451	0.6607
Mycobacterium tuberculosis	Probable hydrolase	0.0073	0.0609	0.0891
Plasmodium vivax	inosine-5'-monophosphate dehydrogenase, putative	0.0074	0.0623	1
Brugia malayi	inosine-5'-monophosphate dehydrogenase	0.0033	0.0096	0.0323
Onchocerca volvulus	Huntingtin homolog	0.0119	0.1202	1
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0038	0.017	0.2493
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0095	0.0894	0.288
Trichomonas vaginalis	penicillin-binding protein, putative	0.0073	0.0609	1
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0073	0.0609	0.0562
Loa Loa (eye worm)	inositol-1	0.0038	0.017	0.0571
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0465	0.5621	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0073	0.0609	1
Mycobacterium leprae	Probable inosine-5'-monophosphate dehydrogenase GuaB3 (IMP dehydrogenase 2) (inosinic acid dehydrogenase) (inosinate dehydrogena	0.0041	0.0206	0.155
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0095	0.0894	0.0849
Trypanosoma brucei	inosine-5'-monophosphate dehydrogenase	0.0079	0.0683	1
Brugia malayi	jmjC domain containing protein	0.0095	0.0894	0.3
Trypanosoma cruzi	GMP reductase	0.0079	0.0683	1
Loa Loa (eye worm)	hypothetical protein	0.0073	0.0609	0.2043
Schistosoma mansoni	zinc finger protein	0.0258	0.2982	0.8831
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0044	0.0248	0.0831
Echinococcus granulosus	SAM and MBT domain containing protein	0.0047	0.0286	0.0805
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0248	0.0595
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0038	0.017	0.0271
Loa Loa (eye worm)	hypothetical protein	0.0073	0.0609	0.2043
Loa Loa (eye worm)	mbt repeat family protein	0.0047	0.0286	0.096
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0073	0.0609	0.1684
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0073	0.0609	0.2043
Mycobacterium ulcerans	lipase LipD	0.0073	0.0609	0.8598
Schistosoma mansoni	inosine-5-monophosphate dehydrogenase	0.0079	0.0683	0.1906
Trichomonas vaginalis	D-aminoacylase, putative	0.0073	0.0609	1
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0035	0.0128	0.0235
Echinococcus granulosus	lysine specific demethylase 5A	0.0035	0.0128	0.0266
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0073	0.0609	0.0891
Onchocerca volvulus		0.005	0.032	0.2346
Toxoplasma gondii	PHD-finger domain-containing protein	0.0029	0.005	0.0736
Schistosoma mansoni	sex comb on midleg homolog	0.0047	0.0286	0.0711
Echinococcus granulosus	inositol monophosphatase 1	0.0038	0.017	0.0409
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0073	0.0609	0.1684
Onchocerca volvulus	Huntingtin homolog	0.0119	0.1202	1
Trypanosoma brucei	hypothetical protein, conserved	0.0073	0.0609	0.8918
Trichomonas vaginalis	D-aminoacylase, putative	0.0073	0.0609	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.0248	0.0199
Toxoplasma gondii	IMP dehydrogenas	0.0079	0.0683	1
Loa Loa (eye worm)	hypothetical protein	0.0246	0.2823	0.9468
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.0248	0.0674
Brugia malayi	hypothetical protein	0.0119	0.1202	0.4032
Brugia malayi	inosine-5'-monophosphate dehydrogenase	0.0033	0.0096	0.0323
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0073	0.0609	0.2043
Plasmodium falciparum	inosine-5'-monophosphate dehydrogenase	0.0074	0.0623	1
Loa Loa (eye worm)	MBOAT family protein	0.0258	0.2982	1
Trypanosoma cruzi	inosine-5'-monophosphate dehydrogenase, putative	0.0079	0.0683	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.0451	0.5603
Mycobacterium ulcerans	hypothetical protein	0.0073	0.0609	0.8598
Brugia malayi	inosine-5'-monophosphate dehydrogenase family protein	0.0079	0.0683	0.2291
Plasmodium falciparum	phd finger protein, putative	0.0029	0.005	0.0806
Brugia malayi	beta-lactamase family protein	0.0073	0.0609	0.2043
Trichomonas vaginalis	penicillin-binding protein, putative	0.0073	0.0609	1
Echinococcus multilocularis	lysine specific demethylase 5A	0.0035	0.0128	0.0078
Mycobacterium ulcerans	inosine 5-monophosphate dehydrogenase	0.0074	0.0623	0.8869
Echinococcus granulosus	protein cysteine N palmitoyltransferase	0.0258	0.2982	1
Leishmania major	guanosine monophosphate reductase	0.0079	0.0683	1
Mycobacterium tuberculosis	Conserved protein	0.0073	0.0609	0.0891
Wolbachia endosymbiont of Brugia malayi	IMP dehydrogenase	0.0079	0.0683	1
Mycobacterium ulcerans	esterase/lipase LipP	0.0073	0.0609	0.8598
Onchocerca volvulus	Putative GMP reductase	0.0033	0.0096	0.04
Echinococcus multilocularis	protein cysteine N palmitoyltransferase	0.0258	0.2982	0.2946
Brugia malayi	hypothetical protein	0.0246	0.2823	0.9468
Schistosoma mansoni	hypothetical protein	0.0289	0.337	1
Schistosoma mansoni	hypothetical protein	0.005	0.032	0.0814
Brugia malayi	Inositol-1	0.0038	0.017	0.0571
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.006	0.0451	0.6607
Echinococcus multilocularis	survival motor neuron protein 1	0.0246	0.2823	0.2787
Brugia malayi	mbt repeat family protein	0.0047	0.0286	0.096
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0248	0.0595
Brugia malayi	GMP reductase	0.0033	0.0096	0.0323
Loa Loa (eye worm)	hypothetical protein	0.0119	0.1202	0.4032
Echinococcus multilocularis	inosine 5' monophosphate dehydrogenase 2	0.0079	0.0683	0.0636
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0054	0.037	0.0322
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.006	0.0451	0.0403
Echinococcus granulosus	polycomb protein SCMH1	0.0047	0.0286	0.0805
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.0451	0.5603
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.0187	0.2072	0.6895
Echinococcus granulosus	inosine 5' monophosphate dehydrogenase 2	0.0079	0.0683	0.2159
Brugia malayi	beta-lactamase	0.0073	0.0609	0.2043
Echinococcus granulosus	zinc finger protein	0.0236	0.2697	0.9029
Loa Loa (eye worm)	hypothetical protein	0.0073	0.0609	0.2043
Plasmodium vivax	hypothetical protein, conserved	0.0029	0.005	0.0806
Plasmodium vivax	hypothetical protein, conserved	0.0073	0.0609	0.9771
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0073	0.0609	0.8598
Loa Loa (eye worm)	MBCTL1	0.0054	0.037	0.1242
Echinococcus multilocularis	jumonji domain containing protein	0.004	0.0196	0.0146
Mycobacterium tuberculosis	Probable lipase LipD	0.0073	0.0609	0.0891
Onchocerca volvulus		0.0073	0.0609	0.4851
Loa Loa (eye worm)	PHD-finger family protein	0.0029	0.005	0.0169
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0038	0.017	0.2493
Loa Loa (eye worm)	hypothetical protein	0.005	0.0315	0.1058
Echinococcus multilocularis	inositol monophosphatase 1	0.0038	0.017	0.0121
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0286	0.096
Echinococcus granulosus	survival motor neuron protein 1	0.0246	0.2823	0.9459
Onchocerca volvulus		0.0047	0.0286	0.2049
Schistosoma mansoni	aldehyde dehydrogenase	0.006	0.0451	0.1208
Schistosoma mansoni	sex comb on midleg homolog	0.0047	0.0286	0.0711
Trypanosoma cruzi	inosine-5'-monophosphate dehydrogenase, putative	0.0079	0.0683	1
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.0054	0.037	0.1092
Echinococcus granulosus	jumonji domain containing protein	0.004	0.0196	0.0496
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0038	0.017	0.2493
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0035	0.0128	0.0235
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0038	0.017	0.5
Mycobacterium tuberculosis	Conserved protein	0.0073	0.0609	0.0891
Mycobacterium ulcerans	inosine 5'-monophosphate dehydrogenase	0.0079	0.0683	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0073	0.0609	0.8918
Mycobacterium leprae	conserved hypothetical protein	0.0073	0.0609	0.869
Mycobacterium leprae	Probable lipase LipE	0.0073	0.0609	0.869
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0054	0.037	0.1242
Echinococcus multilocularis	polycomb protein SCMH1	0.0047	0.0286	0.0237
Echinococcus multilocularis	zinc finger protein	0.0236	0.2697	0.266
Loa Loa (eye worm)	hypothetical protein	0.0029	0.005	0.0169
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.006	0.0451	0.0604
Trypanosoma cruzi	inosine-5'-monophosphate dehydrogenase, putative	0.0079	0.0683	1
Loa Loa (eye worm)	GMP reductase	0.0033	0.0096	0.0323
Loa Loa (eye worm)	jmjC domain-containing protein	0.006	0.0445	0.1494
Brugia malayi	MBOAT family protein	0.0258	0.2982	1
Loa Loa (eye worm)	hypothetical protein	0.0119	0.1202	0.4032
Schistosoma mansoni	aldehyde dehydrogenase	0.006	0.0451	0.1208
Onchocerca volvulus		0.0073	0.0609	0.4851
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0038	0.017	0.2493
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0044	0.0248	0.0831
Loa Loa (eye worm)	hypothetical protein	0.0054	0.037	0.1242
Schistosoma mansoni	inositol monophosphatase	0.0038	0.017	0.0362
Trypanosoma brucei	GMP reductase	0.0079	0.0683	1
Toxoplasma gondii	ABC1 family protein	0.0073	0.0609	0.8918
Echinococcus granulosus	beta LACTamase domain containing family member	0.0073	0.0609	0.1906
Loa Loa (eye worm)	beta-lactamase	0.0073	0.0609	0.2043
Mycobacterium tuberculosis	Conserved protein	0.0073	0.0609	0.0891
Trypanosoma cruzi	GMP reductase	0.0079	0.0683	1
Trichomonas vaginalis	esterase, putative	0.0073	0.0609	1
Mycobacterium tuberculosis	Probable inosine-5'-monophosphate dehydrogenase GuaB3 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase	0.0041	0.0206	0.0159
Brugia malayi	jmjC domain containing protein	0.0035	0.0128	0.043
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0073	0.0609	0.0891
Schistosoma mansoni	inositol monophosphatase	0.0038	0.017	0.0362
Leishmania major	hypothetical protein, conserved	0.0073	0.0609	0.8918
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.0451	0.5603
Mycobacterium tuberculosis	Probable lipase LipE	0.0073	0.0609	0.0891
Mycobacterium tuberculosis	Probable inosine-5'-monophosphate dehydrogenase GuaB2 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase	0.0079	0.0683	0.1026
Loa Loa (eye worm)	jmjC domain-containing protein	0.0035	0.0128	0.043
Brugia malayi	Bromodomain containing protein	0.0029	0.005	0.0169
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.0248	0.0199
Echinococcus multilocularis	SAM and MBT domain containing protein	0.0047	0.0286	0.0237
Loa Loa (eye worm)	hypothetical protein	0.0073	0.0609	0.2043
Brugia malayi	beta-lactamase family protein	0.0073	0.0609	0.2043
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.0054	0.037	0.0322
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0248	0.0595
Onchocerca volvulus		0.0073	0.0609	0.4851
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0038	0.017	0.2493
Loa Loa (eye worm)	hypothetical protein	0.0073	0.0609	0.2043
Giardia lamblia	PHD finger protein 15	0.0029	0.005	0.5
Mycobacterium tuberculosis	Probable esterase LipL	0.0073	0.0609	0.0891
Echinococcus granulosus	histone acetyltransferase MYST2	0.0054	0.037	0.1092
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.0187	0.2072	0.2032
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.0248	0.0674
Mycobacterium leprae	Probable inosine-5'-monophosphate dehydrogenase GuaB2 (IMP dehydrogenase) (IMPDH) (IMPD)	0.0079	0.0683	1
Toxoplasma gondii	PHD-finger domain-containing protein	0.0029	0.005	0.0736
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0054	0.037	0.0964

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: CHEMBL2170727

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 1680288