TDR Targets

Basic information

Technical information

TDR Targets ID: 1422258
Name: methyl 4,5-dimethoxy-2-[(2-methoxyphenyl)carb amoylamino]benzoate
MW: 360.361 | Formula: C18H20N2O6
H donors: 2 H acceptors: 2 LogP: 2.8 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: COC(=O)c1cc(OC)c(cc1NC(=O)Nc1ccccc1OC)OC
InChi: 1S/C18H20N2O6/c1-23-14-8-6-5-7-12(14)19-18(22)20-13-10-16(25-3)15(24-2)9-11(13)17(21)26-4/h5-10H,1-4H3,(H2,19,20,22)
InChiKey: FIZBBKVRSXLCOB-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

4,5-dimethoxy-2-[[[(2-methoxyphenyl)amino]-oxomethyl]amino]benzoic acid methyl ester
4,5-dimethoxy-2-[(2-methoxyphenyl)carbamoylamino]benzoic acid methyl ester
ZINC02657911
T5267052
MLS000057137
SMR000064171

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	TAR DNA binding protein	Starlite/ChEMBL	No references
Homo sapiens	hydroxysteroid (17-beta) dehydrogenase 10	Starlite/ChEMBL	No references
Homo sapiens	microtubule-associated protein tau	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	Get druggable targets OG5_129031	All targets in OG5_129031
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus granulosus	3 hydroxyacyl coenzyme A dehydrogenase type 2	Get druggable targets OG5_129031	All targets in OG5_129031
Brugia malayi	3-hydroxyacyl-CoA dehydrogenase type II	Get druggable targets OG5_129031	All targets in OG5_129031
Schistosoma japonicum	ko:K04380 microtubule-associated protein tau, putative	Get druggable targets OG5_133504	All targets in OG5_133504
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	3-hydroxyacyl-CoA dehydrogenase type II	Get druggable targets OG5_129031	All targets in OG5_129031
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Leishmania donovani	3-oxoacyl-(acyl-carrier protein) reductase, putative	Get druggable targets OG5_129031	All targets in OG5_129031
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Cryptosporidium hominis	scully CG7113-PA	Get druggable targets OG5_129031	All targets in OG5_129031
Loa Loa (eye worm)	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	3-hydroxyacyl-CoA dehydrogenase	Get druggable targets OG5_129031	All targets in OG5_129031
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma japonicum	ko:K00022 3-hydroxyacyl-CoA dehydrogenase [EC1.1.1.35], putative	Get druggable targets OG5_129031	All targets in OG5_129031
Leishmania major	3-oxoacyl-(acyl-carrier protein) reductase, putative	Get druggable targets OG5_129031	All targets in OG5_129031
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	Get druggable targets OG5_129031	All targets in OG5_129031
Leishmania braziliensis	3-oxoacyl-(acyl-carrier protein) reductase, putative	Get druggable targets OG5_129031	All targets in OG5_129031
Echinococcus multilocularis	3 hydroxyacyl coenzyme A dehydrogenase type 2	Get druggable targets OG5_129031	All targets in OG5_129031
Echinococcus multilocularis	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus granulosus	microtubule associated protein 2	Get druggable targets OG5_133504	All targets in OG5_133504
Schistosoma mansoni	microtubule-associated protein tau	Get druggable targets OG5_133504	All targets in OG5_133504
Leishmania infantum	3-oxoacyl-(acyl-carrier protein) reductase, putative	Get druggable targets OG5_129031	All targets in OG5_129031
Leishmania mexicana	3-oxoacyl-(acyl-carrier protein) reductase, putative	Get druggable targets OG5_129031	All targets in OG5_129031
Loa Loa (eye worm)	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus multilocularis	microtubule associated protein 2	Get druggable targets OG5_133504	All targets in OG5_133504
Brugia malayi	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus granulosus	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Cryptosporidium parvum	scully CG7113-PA, putative	Get druggable targets OG5_129031	All targets in OG5_129031
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	Get druggable targets OG5_129031	All targets in OG5_129031
Brugia malayi	RNA recognition motif domain containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Plasmodium falciparum	3-oxoacyl-[acyl-carrier-protein] reductase	hydroxysteroid (17-beta) dehydrogenase 10	252 aa	251 aa	24.7 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0069	0.004	0.012
Toxoplasma gondii	LsmAD domain-containing protein	0.0106	0.0199	0.4467
Brugia malayi	glutaminase DH11.1	0.0553	0.2135	0.2135
Schistosoma mansoni	hypothetical protein	0.075	0.2986	0.4422
Schistosoma mansoni	microtubule-associated protein tau	0.0833	0.3349	0.4959
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0163	0.0446	0.133
Loa Loa (eye worm)	hypothetical protein	0.0106	0.0199	0.0199
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0163	0.0446	1
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0163	0.0446	1
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0163	0.0446	0.133
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0742	0.2953	0.2953
Schistosoma mansoni	tar DNA-binding protein	0.0742	0.2953	0.4372
Brugia malayi	hypothetical protein	0.0106	0.0199	0.0199
Echinococcus granulosus	microtubule associated protein 2	0.0833	0.3349	1
Brugia malayi	3-hydroxyacyl-CoA dehydrogenase type II	0.0069	0.004	0.004
Schistosoma mansoni	tar DNA-binding protein	0.0742	0.2953	0.4372
Loa Loa (eye worm)	hypothetical protein	0.075	0.2986	0.2986
Brugia malayi	RNA binding protein	0.0742	0.2953	0.2953
Schistosoma mansoni	3-hydroxyacyl-CoA dehydrogenase	0.0069	0.004	0.0059
Loa Loa (eye worm)	hypothetical protein	0.122	0.5022	0.5022
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0163	0.0446	0.0446
Schistosoma mansoni	hypothetical protein	0.1619	0.6754	1
Schistosoma mansoni	hypothetical protein	0.075	0.2986	0.4422
Brugia malayi	hypothetical protein	0.0068	0.0036	0.0036
Loa Loa (eye worm)	3-hydroxyacyl-CoA dehydrogenase type II	0.0065	0.002	0.002
Schistosoma mansoni	tar DNA-binding protein	0.0742	0.2953	0.4372
Echinococcus multilocularis	GPCR, family 2	0.075	0.2986	0.8916
Echinococcus multilocularis	tar DNA binding protein	0.0742	0.2953	0.8816
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.0163	0.0446	1
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0163	0.0446	1
Toxoplasma gondii	isocitrate dehydrogenase	0.0163	0.0446	1
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0163	0.0446	0.133
Toxoplasma gondii	isocitrate dehydrogenase	0.0163	0.0446	1
Loa Loa (eye worm)	latrophilin receptor protein 2	0.075	0.2986	0.2986
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.075	0.2986	0.8916
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0163	0.0446	1
Echinococcus granulosus	tar DNA binding protein	0.0742	0.2953	0.8816
Leishmania major	hypothetical protein, conserved	0.0106	0.0199	0.392
Loa Loa (eye worm)	glutaminase 2	0.0553	0.2135	0.2135
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0163	0.0446	1
Brugia malayi	latrophilin 2 splice variant baaae	0.1619	0.6754	0.6754
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.075	0.2986	0.8916
Brugia malayi	Isocitrate dehydrogenase	0.0163	0.0446	0.0446
Brugia malayi	TAR-binding protein	0.0742	0.2953	0.2953
Schistosoma mansoni	glutaminase	0.0553	0.2135	0.3161
Brugia malayi	isocitrate dehydrogenase	0.0163	0.0446	0.0446
Brugia malayi	N-terminal motif family protein	0.122	0.5022	0.5022
Schistosoma mansoni	hypothetical protein	0.075	0.2986	0.4422
Loa Loa (eye worm)	RNA binding protein	0.0742	0.2953	0.2953
Mycobacterium ulcerans	glutaminase	0.0553	0.2135	1
Loa Loa (eye worm)	hypothetical protein	0.2369	1	1
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0163	0.0446	0.133
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.2369	1	1
Loa Loa (eye worm)	hypothetical protein	0.1619	0.6754	0.6754
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0163	0.0446	1
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.075	0.2986	0.2986
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.075	0.2986	0.8916
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0163	0.0446	0.133
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.075	0.2986	0.8916
Loa Loa (eye worm)	glutaminase	0.0553	0.2135	0.2135
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.122	0.5022	1
Loa Loa (eye worm)	TAR-binding protein	0.0742	0.2953	0.2953
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0163	0.0446	0.066
Echinococcus multilocularis	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0069	0.004	0.012
Brugia malayi	Calcitonin receptor-like protein seb-1	0.2369	1	1
Brugia malayi	RNA recognition motif domain containing protein	0.0742	0.2953	0.2953
Schistosoma mansoni	hypothetical protein	0.075	0.2986	0.4422
Schistosoma mansoni	tar DNA-binding protein	0.0742	0.2953	0.4372
Schistosoma mansoni	tar DNA-binding protein	0.0742	0.2953	0.4372
Brugia malayi	Latrophilin receptor protein 2	0.075	0.2986	0.2986
Echinococcus multilocularis	microtubule associated protein 2	0.0833	0.3349	1
Trichomonas vaginalis	glutaminase, putative	0.0553	0.2135	0.5
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0163	0.0446	1
Echinococcus granulosus	GPCR family 2	0.075	0.2986	0.8916
Echinococcus multilocularis	isocitrate dehydrogenase	0.0163	0.0446	0.133

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	5.6234 uM	PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 8.9125 um	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ]	ChEMBL.	No reference
Potency (functional)	= 19.9526 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 22.3872 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ]	ChEMBL.	No reference
Potency (functional)	= 22.3872 um	PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ]	ChEMBL.	No reference
Potency (functional)	25.1189 uM	PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 28.1838 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	28.1838 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)	= 35.4813 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))]	ChEMBL.	No reference
Potency (functional)	= 37.6505 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))]	ChEMBL.	No reference
Potency (functional)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))]	ChEMBL.	No reference
Potency (functional)	100 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	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

ChEMBL: CHEMBL1557432

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1422258