TDR Targets

Basic information

Technical information

TDR Targets ID: 674215
Name: [[amino-(4-nitrophenyl)methylidene]amino] 3,4 ,5-trimethoxybenzoate
MW: 375.333 | Formula: C17H17N3O7
H donors: 1 H acceptors: 3 LogP: 2.56 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: COc1c(OC)cc(cc1OC)C(=O)O/N=C(/c1ccc(cc1)[N+](=O)[O-])\N
InChi: 1S/C17H17N3O7/c1-24-13-8-11(9-14(25-2)15(13)26-3)17(21)27-19-16(18)10-4-6-12(7-5-10)20(22)23/h4-9H,1-3H3,(H2,18,19)
InChiKey: FXKQOZCQLHMNOW-UHFFFAOYSA-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

[[amino-(4-nitrophenyl)methylene]amino] 3,4,5-trimethoxybenzoate
3,4,5-trimethoxybenzoic acid [[amino-(4-nitrophenyl)methylene]amino] ester
4-nitro-N'-[(3,4,5-trimethoxybenzoyl)oxy]benzenecarboximidamide
MLS000574734
SMR000196163
STK298675

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	microtubule-associated protein tau	Starlite/ChEMBL	No references
Homo sapiens	muscleblind-like splicing regulator 1	Starlite/ChEMBL	No references
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	muscleblind protein	Get druggable targets OG5_132352	All targets in OG5_132352
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132352	All targets in OG5_132352
Echinococcus multilocularis	muscleblind protein 1	Get druggable targets OG5_132352	All targets in OG5_132352
Echinococcus multilocularis	microtubule associated protein 2	Get druggable targets OG5_133504	All targets in OG5_133504
Schistosoma japonicum	ko:K04380 microtubule-associated protein tau, putative	Get druggable targets OG5_133504	All targets in OG5_133504
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132352	All targets in OG5_132352
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	microtubule-associated protein tau	Get druggable targets OG5_133504	All targets in OG5_133504
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	muscleblind protein	Get druggable targets OG5_132352	All targets in OG5_132352
Echinococcus granulosus	microtubule associated protein 2	Get druggable targets OG5_133504	All targets in OG5_133504
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	Get druggable targets OG5_131088	All targets in OG5_131088
Brugia malayi	Muscleblind-like protein	Get druggable targets OG5_132352	All targets in OG5_132352

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Schistosoma mansoni	GTP-binding protein alpha subunit gna	GNAS complex locus	394 aa	450 aa	28.7 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	mesoderm induction early response protein 1	0.0021	0.0196	0.0196
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0002	0.0002
Schistosoma mansoni	low-density lipoprotein receptor (ldl)	0.0005	0.0002	0.0002
Schistosoma mansoni	metastasis-associated protein 1 (mta1)	0.0021	0.0196	0.0196
Plasmodium vivax	hypothetical protein, conserved	0.0046	0.0503	1
Echinococcus granulosus	SANT DNA binding	0.0021	0.0196	0.0196
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0046	0.0503	0.5
Leishmania major	UDP-galactopyranose mutase	0.0046	0.0503	0.5
Brugia malayi	amine oxidase, flavin-containing family protein	0.0051	0.0561	0.0649
Echinococcus multilocularis	zinc finger protein 541	0.0021	0.0196	0.0196
Echinococcus granulosus	low density lipoprotein receptor ldl	0.0005	0.0002	0.0002
Plasmodium falciparum	lysine-specific histone demethylase 1, putative	0.0046	0.0503	0.5
Onchocerca volvulus		0.0097	0.1111	0.1246
Brugia malayi	Low-density lipoprotein receptor domain class A containing protein	0.0005	0.0002	0.0002
Echinococcus multilocularis	basement membrane specific heparan sulfate	0.0005	0.0002	0.0002
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.0507	0.6058	1
Brugia malayi	Low-density lipoprotein receptor domain class A containing protein	0.0005	0.0002	0.0002
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0608	0.0608
Brugia malayi	hypothetical protein	0.0046	0.0503	0.0581
Echinococcus granulosus	basement membrane specific heparan sulfate	0.0005	0.0002	0.0002
Schistosoma mansoni	low-density lipoprotein receptor (ldl)	0.0005	0.0002	0.0002
Echinococcus multilocularis	muscleblind protein	0.018	0.2119	0.2119
Echinococcus multilocularis	SANT, DNA binding	0.0021	0.0196	0.0196
Plasmodium vivax	lysine-specific histone demethylase 1, putative	0.0046	0.0503	1
Echinococcus multilocularis	metastasis associated protein 1 (mta1)	0.0021	0.0196	0.0196
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0002	0.0002
Echinococcus granulosus	REST corepressor 3	0.0021	0.0196	0.0196
Loa Loa (eye worm)	low-density lipoprotein receptor domain class A containing protein	0.0005	0.0002	0.0002
Echinococcus multilocularis		0.0046	0.0503	0.0503
Brugia malayi	Low-density lipoprotein receptor domain class A containing protein	0.0005	0.0002	0.0002
Schistosoma mansoni	amine oxidase	0.0046	0.0503	0.0503
Echinococcus granulosus	metastasis associated protein 1 mta1	0.0021	0.0196	0.0196
Echinococcus granulosus	low density lipoprotein receptor ldl	0.0005	0.0002	0.0002
Echinococcus multilocularis	metastasis associated protein MTA1	0.0021	0.0196	0.0196
Echinococcus granulosus	metastasis associated protein MTA1	0.0021	0.0196	0.0196
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0002	0.0002
Echinococcus multilocularis	low density lipoprotein receptor (ldl)	0.0005	0.0002	0.0002
Echinococcus granulosus	muscleblind protein	0.018	0.2119	0.2119
Echinococcus multilocularis	basement membrane specific heparan sulfate	0.0005	0.0002	0.0002
Loa Loa (eye worm)	hypothetical protein	0.018	0.2119	0.238
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0608	0.0608
Echinococcus multilocularis	Low density lipoprotein receptor, class A, cysteine rich	0.0005	0.0002	0.0002
Brugia malayi	basement membrane proteoglycan precursor	0.0005	0.0002	0.0002
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.0608	0.0683
Echinococcus granulosus	basement membrane specific heparan sulfate	0.0005	0.0002	0.0002
Chlamydia trachomatis	protoporphyrinogen oxidase	0.0046	0.0503	0.5
Echinococcus multilocularis	Low density lipoprotein receptor, class A, cysteine rich	0.0005	0.0002	0.0002
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0002	0.0002
Loa Loa (eye worm)	hypothetical protein	0.018	0.2119	0.238
Echinococcus granulosus	5'partial\|Low density lipoprotein receptor class A cysteine rich	0.0005	0.0002	0.0002
Brugia malayi	enteropeptidase precursor	0.0005	0.0002	0.0002
Plasmodium falciparum	protoporphyrinogen oxidase	0.0046	0.0503	0.5
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0002	0.0002
Schistosoma mansoni	zinc finger protein	0.0021	0.0196	0.0196
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0608	0.0608
Brugia malayi	Low-density lipoprotein receptor domain class A containing protein	0.0005	0.0002	0.0002
Echinococcus granulosus	Low density lipoprotein receptor class A cysteine rich	0.0005	0.0002	0.0002
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0503	0.0565
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0002	0.0002
Brugia malayi	Muscleblind-like protein	0.018	0.2119	0.245
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0002	0.0002
Brugia malayi	Calcium binding EGF domain containing protein	0.0005	0.0002	0.0002
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0005	0.0002	0.0002
Brugia malayi	SWIRM domain containing protein	0.0097	0.1111	0.1285
Echinococcus multilocularis	muscleblind protein 1	0.018	0.2119	0.2119
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0608	0.0608
Schistosoma mansoni	rest corepressor (corest) protein	0.0021	0.0196	0.0196
Mycobacterium leprae	PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO)	0.0046	0.0503	0.5
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0002	0.0002
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0002	0.0002
Loa Loa (eye worm)	hypothetical protein	0.0092	0.1053	0.1183
Loa Loa (eye worm)	low-density lipoprotein receptor domain class A containing protein	0.0005	0.0002	0.0002
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0002	0.0002
Echinococcus multilocularis	low density lipoprotein receptor (ldl)	0.0005	0.0002	0.0002
Toxoplasma gondii	histone lysine-specific demethylase LSD1/BHC110/KDMA1A	0.0046	0.0503	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0608	0.0608
Loa Loa (eye worm)	hypothetical protein	0.0097	0.1111	0.1248
Loa Loa (eye worm)	low-density lipoprotein receptor repeat class B containing protein	0.0005	0.0002	0.0002
Loa Loa (eye worm)	calcium binding EGF domain-containing protein	0.0005	0.0002	0.0002
Echinococcus multilocularis	low density lipoprotein receptor protein	0.0005	0.0002	0.0002
Mycobacterium tuberculosis	Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO)	0.046	0.5497	1
Schistosoma mansoni	hypothetical protein	0.0005	0.0002	0.0002
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.0507	0.6058	1
Echinococcus multilocularis	microtubule associated protein 2	0.0833	1	1
Echinococcus multilocularis	rest corepressor (corest) protein	0.0021	0.0196	0.0196
Loa Loa (eye worm)	hypothetical protein	0.0742	0.8901	1
Onchocerca volvulus	CoRest homolog	0.0742	0.8901	1
Brugia malayi	Low-density lipoprotein receptor-related protein, putative	0.0005	0.0002	0.0002
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0608	0.0608
Toxoplasma gondii	histone lysine-specific demethylase	0.0046	0.0503	1
Plasmodium vivax	protoporphyrinogen oxidase, putative	0.0046	0.0503	1
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0196	0.022
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.0608	0.0703
Brugia malayi	Low-density lipoprotein receptor repeat class B containing protein	0.0005	0.0002	0.0002
Brugia malayi	Low-density lipoprotein receptor domain class A containing protein	0.0005	0.0002	0.0002
Brugia malayi	ELM2 domain containing protein	0.0021	0.0196	0.0226
Echinococcus multilocularis	protoporphyrinogen oxidase	0.0046	0.0503	0.0503
Schistosoma mansoni	Protoporphyrinogen oxidase chloroplast/mitochondrial precursor	0.0046	0.0503	0.0503
Loa Loa (eye worm)	hypothetical protein	0.0721	0.8647	0.9714
Brugia malayi	CUB domain containing protein	0.0005	0.0002	0.0002
Echinococcus multilocularis	Low density lipoprotein receptor, class A, cysteine rich	0.0005	0.0002	0.0002
Schistosoma mansoni	metastasis-associated protein 1 (mta1)	0.0021	0.0196	0.0196
Plasmodium vivax	hypothetical protein, conserved	0.0046	0.0503	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0608	0.0608
Schistosoma mansoni	hypothetical protein	0.0005	0.0002	0.0002
Brugia malayi	Low-density lipoprotein receptor domain class A containing protein	0.0005	0.0002	0.0002
Schistosoma mansoni	low-density lipoprotein receptor (ldl)	0.0005	0.0002	0.0002
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0561	0.063
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0002	0.0002
Loa Loa (eye worm)	low-density lipoprotein receptor domain class A containing protein	0.0005	0.0002	0.0002
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0002	0.0002
Echinococcus granulosus	zinc finger protein 541	0.0021	0.0196	0.0196
Brugia malayi	ELM2 domain containing protein	0.0021	0.0196	0.0226
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0002	0.0002
Brugia malayi	Myb-like DNA-binding domain containing protein	0.0021	0.0196	0.0226
Onchocerca volvulus	Mesoderm induction early response 1 related homolog	0.0021	0.0196	0.0218
Schistosoma mansoni	amine oxidase	0.0046	0.0503	0.0503
Brugia malayi	Low-density lipoprotein receptor domain class A containing protein	0.0005	0.0002	0.0002
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0196	0.022
Echinococcus granulosus	low density lipoprotein receptor protein	0.0005	0.0002	0.0002
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0002	0.0002
Brugia malayi	Myb-like DNA-binding domain containing protein	0.0721	0.8647	1
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0046	0.0503	0.0503
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0196	0.022
Schistosoma mansoni	Lysine-specific histone demethylase 1	0.0092	0.1053	0.1053
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0092	0.1053	0.1053
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0503	0.0565
Schistosoma mansoni	rest corepressor (corest) protein	0.0021	0.0196	0.0196
Schistosoma mansoni	microtubule-associated protein tau	0.0833	1	1
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0046	0.0503	0.5
Loa Loa (eye worm)	hypothetical protein	0.0092	0.1053	0.1183
Loa Loa (eye worm)	GATA zinc finger family protein	0.0021	0.0196	0.022
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0046	0.0503	0.5
Echinococcus multilocularis	lysine specific histone demethylase 1A	0.0092	0.1053	0.1053
Echinococcus multilocularis	mesoderm induction early response protein 1	0.0021	0.0196	0.0196

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (binding)	= 3.9811 um	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ]	ChEMBL.	No reference
Potency (binding)	7.9433 uM	PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	8.9125 uM	PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	18.526 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	23.1093 uM	PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125]	ChEMBL.	No reference
Potency (functional)	= 35.4813 um	PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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: CHEMBL1569389
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Bibliographic References

No literature references available for this target.

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Detailed information for compound 674215