Detailed information for compound 862947

Basic information

Technical information
  • TDR Targets ID: 862947
  • Name: ethyl 3-[(3-methoxybenzoyl)amino]-1H-indole-2 -carboxylate
  • MW: 338.357 | Formula: C19H18N2O4
  • H donors: 2 H acceptors: 2 LogP: 3.78 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1[nH]c2c(c1NC(=O)c1cccc(c1)OC)cccc2
  • InChi: 1S/C19H18N2O4/c1-3-25-19(23)17-16(14-9-4-5-10-15(14)20-17)21-18(22)12-7-6-8-13(11-12)24-2/h4-11,20H,3H2,1-2H3,(H,21,22)
  • InChiKey: ROLDRDORNQWFLH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-[[(3-methoxyphenyl)-oxomethyl]amino]-1H-indole-2-carboxylic acid ethyl ester
  • 3-[(3-methoxybenzoyl)amino]-1H-indole-2-carboxylic acid ethyl ester
  • ethyl 3-[(3-methoxyphenyl)carbonylamino]-1H-indole-2-carboxylate
  • ZINC00201138
  • EU-0089476

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
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni lipoxygenase 0.0085 0.0169 0.0303
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0037 0.002 0.0287
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0042 0.0036 0.0528
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0042 0.0036 0.5304
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0278 0.0767 0.1137
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0278 0.0767 0.1137
Echinococcus granulosus nmda type glutamate receptor 0.2201 0.675 1
Echinococcus granulosus potassium:sodium hyperpolarization activated 0.0037 0.002 0.0029
Loa Loa (eye worm) RGC/RGC protein kinase 0.0094 0.0197 0.2887
Echinococcus multilocularis nmda type glutamate receptor 0.2201 0.675 1
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0042 0.0036 0.0064
Echinococcus granulosus receptor type guanylyl cyclase 0.0094 0.0197 0.0291
Echinococcus multilocularis mitogen activated protein kinase 3 0.0053 0.0068 0.01
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.0068 0.0748
Echinococcus granulosus nmda type glutamate receptor 0.1642 0.5009 0.7421
Brugia malayi MAP kinase sur-1 0.0053 0.0068 0.0996
Schistosoma mansoni glutamate receptor NMDA 0.1825 0.558 1
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0278 0.0767 0.1137
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0094 0.0197 0.0291
Echinococcus multilocularis mitogen activated protein kinase 0.0053 0.0068 0.01
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0042 0.0036 0.0064
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0188 0.0488 0.0722
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.025 0.0681 0.1221
Loa Loa (eye worm) hypothetical protein 0.0094 0.0197 0.2887
Echinococcus granulosus mitogen activated protein kinase 0.0053 0.0068 0.01
Echinococcus multilocularis voltage gated potassium channel 0.0054 0.0073 0.0108
Trichomonas vaginalis set domain proteins, putative 0.0245 0.0665 1
Echinococcus granulosus metabotropic glutamate receptor 5 0.0094 0.0197 0.0291
Loa Loa (eye worm) hypothetical protein 0.0042 0.0036 0.0528
Loa Loa (eye worm) glutamate receptor 1 0.0184 0.0475 0.6971
Loa Loa (eye worm) hypothetical protein 0.0042 0.0036 0.0528
Echinococcus granulosus sodium and chloride dependent glycine 0.0042 0.0036 0.0053
Echinococcus granulosus voltage gated potassium channel 0.0054 0.0073 0.0108
Loa Loa (eye worm) hypothetical protein 0.0094 0.0197 0.2887
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0188 0.0488 0.716
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0278 0.0767 0.1137
Leishmania major extracellular receptor, putative 0.0094 0.0197 1
Echinococcus granulosus mitogen activated protein kinase 3 0.0053 0.0068 0.01
Loa Loa (eye worm) RGC/RGC protein kinase 0.0094 0.0197 0.2887
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0053 0.0068 1
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0042 0.0036 0.0053
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0042 0.0036 0.0053
Entamoeba histolytica hypothetical protein 0.0094 0.0197 0.5
Loa Loa (eye worm) hypothetical protein 0.0094 0.0197 0.2887
Brugia malayi hypothetical protein 0.0094 0.0197 0.2887
Echinococcus granulosus glutamate NMDA receptor subunit 0.0184 0.0475 0.0703
Onchocerca volvulus 0.0245 0.0665 0.9768
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0037 0.002 0.0035
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0042 0.0036 0.0064
Plasmodium falciparum amino acid transporter, putative 0.0042 0.0036 0.5
Echinococcus granulosus serotonin transporter 0.025 0.0681 0.1009
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0042 0.0036 0.0064
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0054 0.0073 0.0108
Schistosoma mansoni hypothetical protein 0.0184 0.0475 0.0851
Loa Loa (eye worm) hypothetical protein 0.025 0.0681 1
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0037 0.002 0.0029
Echinococcus granulosus hyperpolarization activated cyclic 0.0037 0.002 0.0029
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0042 0.0036 0.0053
Loa Loa (eye worm) solute carrier family 6 member 4 0.025 0.0681 1
Schistosoma mansoni voltage-gated potassium channel 0.0054 0.0073 0.0131
Schistosoma mansoni protein kinase 0.0094 0.0197 0.0352
Brugia malayi Sodium:neurotransmitter symporter family protein 0.025 0.0681 1
Brugia malayi metabotropic glutamate receptor type 2 0.0094 0.0197 0.2887
Loa Loa (eye worm) RGC/RGC protein kinase 0.0094 0.0197 0.2887
Plasmodium falciparum transporter, putative 0.0042 0.0036 0.5
Echinococcus multilocularis receptor type guanylyl cyclase 0.0094 0.0197 0.0291
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0188 0.0488 0.716
Loa Loa (eye worm) hypothetical protein 0.0163 0.0411 0.6028
Brugia malayi Receptor family ligand binding region containing protein 0.0094 0.0197 0.2887
Schistosoma mansoni glutamate receptor NMDA 0.0184 0.0475 0.0851
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0037 0.002 0.0035
Echinococcus multilocularis hyperpolarization activated cyclic 0.0037 0.002 0.0029
Loa Loa (eye worm) hypothetical protein 0.0054 0.0073 0.1074
Brugia malayi metabotropic GABA-B receptor subtype 2 0.0094 0.0197 0.2887
Schistosoma mansoni lipoxygenase 0.0122 0.0283 0.0507
Loa Loa (eye worm) hypothetical protein 0.0094 0.0197 0.2887
Echinococcus granulosus cyclic nucleotide gated cation channel alpha 3 0.0037 0.002 0.0029
Brugia malayi Pre-SET motif family protein 0.0215 0.0573 0.8411
Echinococcus multilocularis glutamate receptor subunit protein glur 0.0184 0.0475 0.0703
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0215 0.0573 0.8411
Loa Loa (eye worm) hypothetical protein 0.0042 0.0036 0.0528
Schistosoma mansoni metabotropic glutamate receptor 0.0094 0.0197 0.0352
Echinococcus granulosus glutamate receptor ionotropic kainate 3 0.0184 0.0475 0.0703
Echinococcus granulosus glutamate receptor 2 0.0278 0.0767 0.1137
Loa Loa (eye worm) hypothetical protein 0.0042 0.0036 0.0528
Echinococcus granulosus metabotropic glutamate receptor 2 0.0094 0.0197 0.0291
Loa Loa (eye worm) hypothetical protein 0.0042 0.0036 0.0528
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0042 0.0036 0.0064
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0042 0.0036 0.0528
Schistosoma mansoni sodium/chloride dependent transporter 0.0042 0.0036 0.0064
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0042 0.0036 0.0064
Echinococcus multilocularis serotonin transporter 0.025 0.0681 0.1009
Schistosoma mansoni glutamate receptor kainate 0.0184 0.0475 0.0851
Brugia malayi Guanylyl cyclase protein 23 0.0094 0.0197 0.2887
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0175 0.0449 0.6654
Schistosoma mansoni glutamate receptor AMPA 0.0184 0.0475 0.0851
Loa Loa (eye worm) hypothetical protein 0.025 0.0681 1
Mycobacterium tuberculosis Probable glutamine-binding lipoprotein GlnH (GLNBP) 0.047 0.1367 0.5
Loa Loa (eye worm) hypothetical protein 0.0094 0.0197 0.2887
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0042 0.0036 0.0053
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0054 0.0073 0.0108
Brugia malayi Cytochrome P450 family protein 0.0054 0.0072 0.106
Brugia malayi hypothetical protein 0.0042 0.0036 0.0528
Brugia malayi Cyclic-nucleotide gated cation channel 0.0037 0.002 0.0287
Echinococcus multilocularis NMDA receptor 0.0184 0.0475 0.0703
Schistosoma mansoni voltage-gated potassium channel 0.0205 0.0541 0.097
Trypanosoma cruzi extracellular receptor, putative 0.0094 0.0197 1
Schistosoma mansoni ATP-binding cassette transporter 0.0184 0.0475 0.0851
Schistosoma mansoni serine/threonine protein kinase 0.0053 0.0068 0.0122
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0278 0.0767 0.1137
Schistosoma mansoni sodium/chloride dependent transporter 0.025 0.0681 0.1221
Onchocerca volvulus 0.0094 0.0197 0.2887
Echinococcus granulosus glutamate receptor NMDA 0.1548 0.4717 0.6987
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0042 0.0036 0.0528
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0053 0.0068 0.5
Brugia malayi Glutamate receptor 2 precursor 0.0184 0.0475 0.6971
Onchocerca volvulus 0.0042 0.0036 0.0528
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0042 0.0036 0.0064
Echinococcus multilocularis nmda type glutamate receptor 0.1642 0.5009 0.7421
Schistosoma mansoni tyrosine kinase 0.0094 0.0197 0.0352
Trypanosoma brucei protein kinase, putative 0.0053 0.0068 0.5
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0654 0.1938 0.287
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0042 0.0036 0.5304
Treponema pallidum amino acid ABC transporter, periplasmic binding protein (hisJ) 0.047 0.1367 1
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0042 0.0036 0.0053
Plasmodium vivax amine transporter, putative 0.0042 0.0036 1
Schistosoma mansoni metabotropic glutamate receptor 0.0094 0.0197 0.0352
Onchocerca volvulus 0.0042 0.0036 0.0528
Echinococcus multilocularis glutamate receptor ionotropic kainate 0.0184 0.0475 0.0703
Echinococcus multilocularis potassium:sodium hyperpolarization activated 0.0037 0.002 0.0029
Echinococcus multilocularis glutamate receptor 2 0.0278 0.0767 0.1137
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0042 0.0036 0.0528
Giardia lamblia Kinase, CMGC MAPK 0.0053 0.0068 0.5
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0188 0.0488 0.0722
Echinococcus granulosus hyperpolarization activated cyclic 0.0037 0.002 0.0029
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0175 0.0449 0.6654
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.0068 0.0748
Brugia malayi Metabotropic glutamate receptor precursor. 0.0094 0.0197 0.2887
Schistosoma mansoni tyrosine kinase 0.0094 0.0197 0.0352
Schistosoma mansoni glutamate receptor AMPA 0.0184 0.0475 0.0851
Echinococcus granulosus glutamate receptor subunit protein glur 0.0184 0.0475 0.0703
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0037 0.002 0.0287
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0042 0.0036 0.5304
Loa Loa (eye worm) hypothetical protein 0.0094 0.0197 0.2887
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0122 0.0283 0.0419
Echinococcus multilocularis Ribosomal protein S1, RNA binding domain 0.0184 0.0475 0.0703
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0037 0.002 0.0029
Echinococcus granulosus atrial natriuretic peptide receptor 0.0094 0.0197 0.0291
Onchocerca volvulus 0.025 0.0681 1
Schistosoma mansoni sodium/chloride dependent transporter 0.0043 0.0037 0.0067
Echinococcus granulosus sodium and chloride dependent glycine 0.0042 0.0036 0.0053
Echinococcus multilocularis glutamate receptor NMDA 0.1548 0.4717 0.6987
Brugia malayi Receptor family ligand binding region containing protein 0.0094 0.0197 0.2887
Loa Loa (eye worm) glutamate receptor 0.0094 0.0197 0.2887
Echinococcus granulosus Ribosomal protein S1 RNA binding domain 0.0184 0.0475 0.0703
Echinococcus multilocularis cyclic nucleotide gated cation channel alpha 3 0.0037 0.002 0.0029
Loa Loa (eye worm) hypothetical protein 0.0094 0.0197 0.2887
Schistosoma mansoni sodium-dependent amino acid transporter 0.0042 0.0036 0.0064
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0042 0.0036 0.0528
Toxoplasma gondii hypothetical protein 0.0042 0.0036 0.5304
Echinococcus multilocularis sodium and chloride dependent glycine 0.0042 0.0036 0.0053
Schistosoma mansoni glutamate receptor kainate 0.0184 0.0475 0.0851
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0037 0.002 0.0035
Loa Loa (eye worm) receptor family ligand binding region containing protein 0.0094 0.0197 0.2887
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0278 0.0767 0.1137
Loa Loa (eye worm) hypothetical protein 0.0037 0.002 0.0287
Loa Loa (eye worm) hypothetical protein 0.0042 0.0036 0.0528
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0042 0.0036 0.0064
Loa Loa (eye worm) hypothetical protein 0.0042 0.0036 0.0528
Treponema pallidum amino acid ABC transporter, periplasmic binding protein 0.047 0.1367 1
Loa Loa (eye worm) hypothetical protein 0.0094 0.0197 0.2887
Toxoplasma gondii hypothetical protein 0.0042 0.0036 0.5304
Loa Loa (eye worm) glutamate receptor 2 0.0184 0.0475 0.6971
Onchocerca volvulus Atrial natriuretic peptide receptor 3 homolog 0.0094 0.0197 0.2887
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0042 0.0036 0.0528
Loa Loa (eye worm) metabotropic GABA-B receptor subtype 2 0.0094 0.0197 0.2887
Echinococcus multilocularis atrial natriuretic peptide receptor 0.0094 0.0197 0.0291
Schistosoma mansoni voltage-gated potassium channel 0.0054 0.0073 0.0131
Schistosoma mansoni voltage-gated potassium channel 0.0037 0.002 0.0035
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0122 0.0283 0.0419
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.0068 0.0748
Echinococcus multilocularis tyrosine kinase 0.0094 0.0197 0.0291
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0053 0.0068 0.0996
Chlamydia trachomatis arginine ABC transporter substrate-binding protein ArtJ 0.047 0.1367 0.1336
Schistosoma mansoni voltage-gated potassium channel 0.0205 0.0541 0.097
Onchocerca volvulus 0.0042 0.0036 0.0528
Echinococcus multilocularis glutamate receptor 2 0.0184 0.0475 0.0703
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0094 0.0197 0.0291
Mycobacterium ulcerans glutamine-binding lipoprotein GlnH 0.047 0.1367 0.5
Loa Loa (eye worm) metabotropic glutamate receptor 8 0.0094 0.0197 0.2887
Loa Loa (eye worm) cytochrome P450 family protein 0.0054 0.0072 0.106
Loa Loa (eye worm) serotonin transporter b 0.025 0.0681 1
Echinococcus multilocularis glutamate receptor 2 0.0094 0.0197 0.0291
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0042 0.0036 0.0053
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0037 0.002 0.0035
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0037 0.002 0.0029
Echinococcus multilocularis sodium and chloride dependent glycine 0.0042 0.0036 0.0053
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0278 0.0767 0.1137
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0278 0.0767 0.1137
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0054 0.0073 0.1074
Schistosoma mansoni glutamate receptor kainate 0.0184 0.0475 0.0851
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.0068 0.0748
Chlamydia trachomatis glutamine binding protein 0.047 0.1367 0.1336
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0042 0.0036 0.0053
Loa Loa (eye worm) hypothetical protein 0.025 0.0681 1
Loa Loa (eye worm) norepinephrine transporter 0.025 0.0681 1
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0037 0.002 0.0035
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.0184 0.0475 0.0703
Echinococcus multilocularis hyperpolarization activated cyclic 0.0037 0.002 0.0029
Onchocerca volvulus 0.0094 0.0197 0.2887
Echinococcus granulosus tyrosine kinase 0.0094 0.0197 0.0291
Loa Loa (eye worm) hypothetical protein 0.0094 0.0197 0.2887
Echinococcus granulosus glutamate receptor ionotropic kainate 0.0184 0.0475 0.0703
Echinococcus granulosus glutamate receptor 2 0.0094 0.0197 0.0291
Brugia malayi Glutamate receptor 1 precursor 0.0184 0.0475 0.6971
Plasmodium vivax hypothetical protein, conserved 0.0042 0.0036 1

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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