Detailed information for compound 826949

Basic information

Technical information
  • TDR Targets ID: 826949
  • Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxy phenyl)urea
  • MW: 330.378 | Formula: C18H22N2O4
  • H donors: 2 H acceptors: 1 LogP: 2.8 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)NC(=O)NCCc1ccc(c(c1)OC)OC
  • InChi: 1S/C18H22N2O4/c1-22-15-7-5-14(6-8-15)20-18(21)19-11-10-13-4-9-16(23-2)17(12-13)24-3/h4-9,12H,10-11H2,1-3H3,(H2,19,20,21)
  • InChiKey: VLXJIIUVTTXSAH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • A3682/0156203
  • ZINC01443419

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
Mycobacterium tuberculosis Probable dehydrogenase 0.0109 0.3773 0.8833
Trichomonas vaginalis glucosylceramidase, putative 0.0172 0.6323 0.6291
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0079 0.2545 1
Trichomonas vaginalis spcc417.12 protein, putative 0.0023 0.0252 0.0168
Trichomonas vaginalis inositol monophosphatase, putative 0.0037 0.0836 0.0757
Echinococcus multilocularis RUN 0.002 0.0123 0.0078
Echinococcus granulosus acetylcholinesterase 0.0137 0.4899 1
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0058 0.1682 0.3317
Echinococcus granulosus neuroligin 0.0023 0.0252 0.0345
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0121 0.4271 1
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0261 1 1
Echinococcus multilocularis neuroligin 0.0023 0.0252 0.0345
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.0085 0.02
Schistosoma mansoni gliotactin 0.0023 0.0252 0.0304
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0079 0.2545 0.5109
Trichomonas vaginalis glucosylceramidase, putative 0.0261 1 1
Loa Loa (eye worm) hypothetical protein 0.0124 0.4379 0.4357
Brugia malayi glutathione reductase 0.0048 0.1264 0.1189
Echinococcus multilocularis Polycystic kidney disease protein 0.002 0.0123 0.0078
Toxoplasma gondii hypothetical protein 0.0027 0.0422 0.137
Echinococcus granulosus para nitrobenzyl esterase 0.0023 0.0252 0.0345
Mycobacterium ulcerans hypothetical protein 0.0024 0.0288 0.0991
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0109 0.3773 0.8833
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.0085 0.018
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0079 0.2545 1
Mycobacterium tuberculosis Probable reductase 0.0109 0.3773 0.8833
Brugia malayi hypothetical protein 0.002 0.0123 0.0038
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0085 0.018
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0288 0.0205
Brugia malayi Carboxylesterase family protein 0.0023 0.0252 0.0168
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0836 0.6366
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.004 0.0094
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0058 0.1682 0.3317
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0058 0.1682 0.161
Schistosoma mansoni polycystin 1-related 0.002 0.0123 0.0069
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0085 0.0045
Loa Loa (eye worm) thioredoxin reductase 0.0048 0.1264 0.1229
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.0836 0.0757
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0023 0.0252 0.0589
Echinococcus multilocularis carboxylesterase 5A 0.0137 0.4899 1
Echinococcus granulosus BC026374 protein S09 family 0.0023 0.0252 0.0345
Loa Loa (eye worm) hypothetical protein 0.0024 0.0288 0.0249
Loa Loa (eye worm) carboxylesterase 0.0023 0.0252 0.0212
Loa Loa (eye worm) hypothetical protein 0.0137 0.4899 0.4879
Brugia malayi hypothetical protein 0.002 0.0123 0.0038
Loa Loa (eye worm) hypothetical protein 0.0023 0.0252 0.0212
Loa Loa (eye worm) hypothetical protein 0.0079 0.2545 0.2515
Schistosoma mansoni inositol monophosphatase 0.0037 0.0836 0.1373
Loa Loa (eye worm) carboxylesterase 0.0023 0.0252 0.0212
Trichomonas vaginalis glucosylceramidase, putative 0.0172 0.6323 0.6291
Trypanosoma brucei trypanothione reductase 0.0048 0.1264 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0288 0.1271
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0137 0.4899 0.8808
Echinococcus multilocularis thioredoxin glutathione reductase 0.0048 0.1264 0.2449
Loa Loa (eye worm) carboxylesterase 0.0137 0.4899 0.4879
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0288 0.1271
Schistosoma mansoni inositol monophosphatase 0.0037 0.0836 0.1373
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0054 0.1522 0.1488
Echinococcus granulosus lipoxygenase domain containing protein 0.002 0.0123 0.0078
Toxoplasma gondii thioredoxin reductase 0.0048 0.1264 0.4795
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0056 0.1592 0.3131
Trichomonas vaginalis glucosylceramidase, putative 0.0181 0.6701 0.6672
Echinococcus multilocularis BC026374 protein (S09 family) 0.0023 0.0252 0.0345
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0058 0.1682 0.2921
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.0085 0.5
Mycobacterium tuberculosis Carboxylesterase LipT 0.0023 0.0252 0.0589
Plasmodium falciparum LCCL domain-containing protein 0.002 0.0123 0.0331
Trichomonas vaginalis glucosylceramidase, putative 0.0172 0.6323 0.6291
Mycobacterium ulcerans carboxylesterase, LipT 0.0023 0.0252 0.0844
Onchocerca volvulus 0.0023 0.0252 0.0207
Echinococcus granulosus carboxylesterase 5A 0.0137 0.4899 1
Loa Loa (eye worm) hypothetical protein 0.0137 0.4899 0.4879
Schistosoma mansoni rab6-interacting 0.002 0.0123 0.0069
Trichomonas vaginalis glucosylceramidase, putative 0.0261 1 1
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0.0288 0.0991
Brugia malayi Carboxylesterase family protein 0.0137 0.4899 0.4855
Trichomonas vaginalis glucosylceramidase, putative 0.0172 0.6323 0.6291
Loa Loa (eye worm) hypothetical protein 0.0024 0.0288 0.0249
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0058 0.1682 0.3938
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0079 0.2545 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0288 0.0249
Onchocerca volvulus Glucosylceramidase homolog 0.0172 0.6323 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0079 0.2545 1
Plasmodium falciparum glutathione reductase 0.0048 0.1264 0.4889
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0109 0.3773 0.8833
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0079 0.2545 1
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0836 0.4701
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0027 0.0422 0.137
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0023 0.0252 0.0168
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 0.0027 0.0422 0.0336
Loa Loa (eye worm) hypothetical protein 0.0023 0.0252 0.0212
Trichomonas vaginalis glucosylceramidase, putative 0.0172 0.6323 0.6291
Echinococcus granulosus Polycystic kidney disease protein 0.002 0.0123 0.0078
Echinococcus multilocularis inositol monophosphatase 1 0.0037 0.0836 0.1559
Schistosoma mansoni rab6-interacting 0.002 0.0123 0.0069
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0058 0.1682 0.6555
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0037 0.0836 0.3052
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0024 0.0288 0.0675
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0079 0.2545 0.5109
Onchocerca volvulus 0.0023 0.0252 0.0207
Loa Loa (eye worm) hypothetical protein 0.0124 0.4379 0.4357
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0023 0.0252 0.0345
Trichomonas vaginalis glucosylceramidase, putative 0.0261 1 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0288 0.0991
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0023 0.0252 0.0304
Echinococcus multilocularis lipoxygenase domain containing protein 0.002 0.0123 0.0078
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.0836 0.0757
Trichomonas vaginalis glucosylceramidase, putative 0.0261 1 1
Schistosoma mansoni peptidase Clp (S14 family) 0.0079 0.2545 0.45
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0121 0.4271 1
Echinococcus multilocularis para nitrobenzyl esterase 0.0023 0.0252 0.0345
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0288 0.2704
Echinococcus multilocularis acetylcholinesterase 0.0137 0.4899 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0252 0.0212
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.0288 0.0675
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0079 0.2545 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0023 0.0252 0.0304
Plasmodium vivax glutathione reductase, putative 0.0048 0.1264 0.4889
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0058 0.1682 0.6555
Onchocerca volvulus 0.0023 0.0252 0.0207
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0288 0.0991
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0079 0.2545 1
Echinococcus granulosus lipoxygenase domain containing protein 0.002 0.0123 0.0078
Loa Loa (eye worm) hypothetical protein 0.0023 0.0252 0.0212
Brugia malayi hypothetical protein 0.0023 0.0252 0.0168
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0027 0.0422 0.1526
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0037 0.0836 0.3052
Brugia malayi Carboxylesterase family protein 0.0137 0.4899 0.4855
Echinococcus granulosus peptidase Clp S14 family 0.0052 0.1429 0.2791
Trichomonas vaginalis glucosylceramidase, putative 0.0261 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.0172 0.6323 0.6291
Mycobacterium tuberculosis Probable oxidoreductase 0.0121 0.4271 1
Loa Loa (eye worm) glutathione reductase 0.0048 0.1264 0.1229
Trypanosoma cruzi trypanothione reductase, putative 0.0048 0.1264 1
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0027 0.0422 0.1526
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0023 0.0252 0.0304
Echinococcus granulosus inositol monophosphatase 1 0.0037 0.0836 0.1559
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0037 0.0836 0.3178
Loa Loa (eye worm) inositol-1 0.0037 0.0836 0.0799
Brugia malayi hypothetical protein 0.0124 0.4379 0.4331
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0288 0.0205
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0052 0.1429 0.2864
Echinococcus granulosus RUN 0.002 0.0123 0.0078
Trichomonas vaginalis glucosylceramidase, putative 0.0261 1 1
Plasmodium falciparum thioredoxin reductase 0.0048 0.1264 0.4889
Echinococcus granulosus acetylcholinesterase 0.0137 0.4899 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0085 0.018
Echinococcus multilocularis lipoxygenase domain containing protein 0.002 0.0123 0.0078
Loa Loa (eye worm) hypothetical protein 0.002 0.0123 0.0083
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0023 0.0252 0.0589
Onchocerca volvulus 0.0023 0.0252 0.0207
Schistosoma mansoni neuroligin 3 (S09 family) 0.0023 0.0252 0.0304
Brugia malayi Doublecortin family protein 0.002 0.0123 0.0038
Plasmodium vivax thioredoxin reductase, putative 0.0048 0.1264 0.4889
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0288 0.0205
Onchocerca volvulus Huntingtin homolog 0.0124 0.4379 0.6865
Brugia malayi Thioredoxin reductase 0.0048 0.1264 0.1189
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0.0288 0.0991
Loa Loa (eye worm) hypothetical protein 0.0023 0.0252 0.0212
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0079 0.2545 1
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0023 0.0252 0.0345
Schistosoma mansoni loxhd1 0.002 0.0123 0.0069
Onchocerca volvulus 0.0023 0.0252 0.0207
Loa Loa (eye worm) acetylcholinesterase 1 0.0137 0.4899 0.4879
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0288 0.1271
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0037 0.0836 1
Onchocerca volvulus Huntingtin homolog 0.0124 0.4379 0.6865
Schistosoma mansoni acetylcholinesterase 0.0023 0.0252 0.0304
Brugia malayi Inositol-1 0.0037 0.0836 0.0757
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0109 0.3773 0.8749
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0048 0.1264 0.296
Leishmania major trypanothione reductase 0.0048 0.1264 0.7385
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0079 0.2545 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0288 0.0991
Trichomonas vaginalis glucosylceramidase, putative 0.0181 0.6701 0.6672
Brugia malayi Carboxylesterase family protein 0.0023 0.0252 0.0168
Loa Loa (eye worm) doublecortin family protein 0.002 0.0123 0.0083
Schistosoma mansoni BC026374 protein (S09 family) 0.0023 0.0252 0.0304
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0109 0.3773 0.8833
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0056 0.1592 0.3131
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0024 0.0288 0.0991
Loa Loa (eye worm) hypothetical protein 0.002 0.0123 0.0083
Brugia malayi Carboxylesterase family protein 0.0023 0.0252 0.0168
Loa Loa (eye worm) hypothetical protein 0.0023 0.0252 0.0212
Echinococcus multilocularis acetylcholinesterase 0.0137 0.4899 1
Schistosoma mansoni lipoxygenase 0.0056 0.1592 0.2758
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0109 0.3773 0.8833
Entamoeba histolytica acyl-coA synthetase, putative 0.0024 0.0288 0.2704
Loa Loa (eye worm) hypothetical protein 0.0023 0.0252 0.0212
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0024 0.0288 0.0991
Brugia malayi Carboxylesterase family protein 0.0023 0.0252 0.0168
Schistosoma mansoni hypothetical protein 0.002 0.0123 0.0069
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0033 0.0676 0.0973
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0121 0.4271 1
Brugia malayi Probable ClpP-like protease 0.0079 0.2545 0.248
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0288 0.2704
Onchocerca volvulus 0.0024 0.0288 0.0267
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0836 0.6366
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0052 0.1429 0.3346
Echinococcus granulosus thioredoxin glutathione reductase 0.0048 0.1264 0.2449
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0079 0.2545 1
Plasmodium vivax multidomain scavenger receptor, putative 0.002 0.0123 0.0331
Schistosoma mansoni lipoxygenase 0.002 0.0123 0.0069
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0052 0.1429 0.3346
Trichomonas vaginalis glucosylceramidase, putative 0.0172 0.6323 0.6291
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0058 0.1682 1
Echinococcus multilocularis peptidase Clp (S14 family) 0.0052 0.1429 0.2791
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0836 0.6366
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0079 0.2545 0.5665
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0033 0.0676 0.1582

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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