Detailed information for compound 680288

Basic information

Technical information
  • TDR Targets ID: 680288
  • Name: N-(4-bromo-3-methylphenyl)-2-(3,5-dimethylphe noxy)acetamide
  • MW: 348.234 | Formula: C17H18BrNO2
  • H donors: 1 H acceptors: 1 LogP: 4.58 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccc(c(c1)C)Br)COc1cc(C)cc(c1)C
  • InChi: 1S/C17H18BrNO2/c1-11-6-12(2)8-15(7-11)21-10-17(20)19-14-4-5-16(18)13(3)9-14/h4-9H,10H2,1-3H3,(H,19,20)
  • InChiKey: BHXAPWOIXKIRBS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(4-bromo-3-methyl-phenyl)-2-(3,5-dimethylphenoxy)acetamide
  • N-(4-bromo-3-methyl-phenyl)-2-(3,5-dimethylphenoxy)ethanamide
  • STK209401
  • Oprea1_675655
  • ZINC00309119

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
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0318 0.5648 0.5648
Echinococcus multilocularis survival motor neuron protein 1 0.0274 0.4757 0.4757
Loa Loa (eye worm) hypothetical protein 0.0124 0.1762 0.312
Mycobacterium tuberculosis Possible D-alpha-D-heptose-7-phosphate kinase HddA 0.0086 0.0993 0.2517
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0069 0.0662 0.0662
Mycobacterium tuberculosis Probable oxidoreductase 0.0111 0.1495 0.3792
Echinococcus multilocularis thioredoxin glutathione reductase 0.0044 0.0159 0.0159
Trichomonas vaginalis galactokinase, putative 0.012 0.1671 0.2958
Plasmodium vivax 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase, putative 0.0142 0.2108 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0069 0.0662 0.168
Trypanosoma cruzi trypanothione reductase, putative 0.0044 0.0147 0.0261
Trichomonas vaginalis CAMK family protein kinase 0.0318 0.5648 1
Echinococcus multilocularis transcription factor eb 0.0125 0.1774 0.1774
Schistosoma mansoni kinase 0.0162 0.2511 0.4446
Schistosoma mansoni mevalonate kinase 0.0086 0.0993 0.1758
Mycobacterium tuberculosis Probable galactokinase GalK (galactose kinase) 0.0233 0.3943 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0069 0.0662 0.168
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0111 0.1495 0.3903
Loa Loa (eye worm) hypothetical protein 0.0086 0.0993 0.1758
Brugia malayi glutathione reductase 0.0044 0.0147 0.0261
Mycobacterium ulcerans mevalonate kinase, Erg12 0.0086 0.0993 0.2517
Mycobacterium ulcerans galactokinase 0.0233 0.3943 1
Schistosoma mansoni aldehyde dehydrogenase 0.0069 0.0662 0.1173
Schistosoma mansoni serine/threonine protein kinase 0.0318 0.5648 1
Trypanosoma brucei trypanothione reductase 0.0044 0.0147 0.0261
Brugia malayi Helix-loop-helix DNA-binding domain containing protein 0.0125 0.1774 0.3141
Trypanosoma cruzi homoserine kinase 0.0086 0.0993 0.1758
Mycobacterium leprae Probable 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase IspE (CMK) (4-(cytidine-5'-diphospho)-2-C-methyl-D-erythritol kinase) 0.0227 0.3831 1
Trichomonas vaginalis galactokinase, putative 0.012 0.1671 0.2958
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.01 0.1272 0.3225
Trypanosoma cruzi fucose kinase, putative 0.0049 0.0262 0.0464
Trypanosoma cruzi homoserine kinase 0.0086 0.0993 0.1758
Mycobacterium ulcerans 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase 0.0227 0.3831 0.9716
Echinococcus multilocularis Mevalonate galactokinase 0.0086 0.0993 0.0993
Brugia malayi hypothetical protein 0.0274 0.4757 0.8422
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0044 0.0147 0.0374
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.01 0.1272 0.3225
Trypanosoma cruzi galactokinase, putative 0.0233 0.3943 0.6982
Mycobacterium tuberculosis Probable dehydrogenase 0.01 0.1272 0.3225
Leishmania major phosphomevalonate kinase protein, putative 0.0086 0.0993 0.1758
Toxoplasma gondii GHMP kinase, N-terminal domain-containing protein 0.012 0.1671 1
Toxoplasma gondii GHMP kinase, putative 0.0086 0.0993 0.5549
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0318 0.5648 1
Trypanosoma brucei polo-like protein kinase 0.0318 0.5648 1
Giardia lamblia Kinase, PLK 0.0318 0.5648 1
Echinococcus granulosus transcription factor eb 0.0125 0.1774 0.1774
Entamoeba histolytica serine/threonine protein kinase, putative 0.0318 0.5648 1
Mycobacterium tuberculosis Probable 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase IspE (CMK) (4-(cytidine-5'-diphospho)-2-C-methyl-D-erythritol kinase) 0.0142 0.2108 0.5346
Brugia malayi serine/threonine-protein kinase plk-2 0.0318 0.5648 1
Mycobacterium tuberculosis Probable reductase 0.01 0.1272 0.3225
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.01 0.1272 0.332
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0069 0.0662 0.0662
Wolbachia endosymbiont of Brugia malayi 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase 0.0227 0.3831 0.5
Trypanosoma cruzi polo-like protein kinase, putative 0.0318 0.5648 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.01 0.1272 0.3225
Brugia malayi Thioredoxin reductase 0.0044 0.0147 0.0261
Leishmania major galactokinase-like protein 0.0233 0.3943 0.6982
Toxoplasma gondii aldehyde dehydrogenase 0.0069 0.0662 0.3381
Brugia malayi galactokinase family protein 0.012 0.1671 0.2958
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0111 0.1495 0.3792
Mycobacterium ulcerans hypothetical protein 0.0106 0.1391 0.3528
Plasmodium falciparum 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase, putative 0.0142 0.2108 1
Trichomonas vaginalis CAMK family protein kinase 0.0157 0.2427 0.4297
Onchocerca volvulus 0.0056 0.0389 0.0688
Trypanosoma cruzi polo-like protein kinase, putative 0.0318 0.5648 1
Treponema pallidum hypothetical protein 0.0227 0.3831 1
Echinococcus granulosus survival motor neuron protein 1 0.0274 0.4757 0.4757
Echinococcus multilocularis galactokinase 0.0233 0.3943 0.3943
Echinococcus granulosus thioredoxin glutathione reductase 0.0044 0.0159 0.0159
Trichomonas vaginalis CAMK family protein kinase 0.0318 0.5648 1
Loa Loa (eye worm) galactokinase 0.012 0.1671 0.2958
Onchocerca volvulus Serine\/threonine kinase homolog 0.0318 0.5648 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0069 0.0662 0.1173
Schistosoma mansoni galactokinase 0.012 0.1671 0.2958
Echinococcus granulosus Mevalonate galactokinase 0.0086 0.0993 0.0993
Mycobacterium ulcerans homoserine kinase 0.0086 0.0993 0.2517
Trichomonas vaginalis CAMK family protein kinase 0.0318 0.5648 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0069 0.0662 0.168
Loa Loa (eye worm) hypothetical protein 0.0274 0.4757 0.8422
Mycobacterium ulcerans aldehyde dehydrogenase 0.0069 0.0662 0.168
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0111 0.1495 0.3792
Schistosoma mansoni survival motor neuron protein 0.0056 0.0389 0.0688
Mycobacterium tuberculosis Putative ferredoxin reductase 0.01 0.1272 0.3225
Echinococcus multilocularis neuropeptide s receptor 0.0535 1 1
Trichomonas vaginalis galactokinase, putative 0.012 0.1671 0.2958
Schistosoma mansoni hypothetical protein 0.0056 0.0389 0.0688
Echinococcus granulosus galactokinase 0.0233 0.3943 0.3943
Trypanosoma cruzi mevalonate kinase, putative 0.0086 0.0993 0.1758
Trypanosoma cruzi galactokinase, putative 0.0233 0.3943 0.6982
Mycobacterium ulcerans phosphomevalonate kinase 0.0086 0.0993 0.2517
Trichomonas vaginalis CAMK family protein kinase 0.0318 0.5648 1
Loa Loa (eye worm) helix-loop-helix DNA-binding domain-containing protein 0.0124 0.1762 0.312
Leishmania major homoserine kinase, putative 0.0086 0.0993 0.1758
Chlamydia trachomatis 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase 0.0178 0.2839 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0318 0.5648 1
Giardia lamblia Mevalonate kinase 0.0086 0.0993 0.1758
Echinococcus granulosus neuropeptide receptor A26 0.0535 1 1
Loa Loa (eye worm) thioredoxin reductase 0.0044 0.0147 0.0261
Echinococcus granulosus N acetylgalactosamine kinase 0.012 0.1671 0.1671
Trypanosoma brucei mevalonate kinase, putative 0.0086 0.0993 0.1758
Schistosoma mansoni aldehyde dehydrogenase 0.0069 0.0662 0.1173
Trichomonas vaginalis CAMK family protein kinase 0.0318 0.5648 1
Loa Loa (eye worm) glutathione reductase 0.0044 0.0147 0.0261
Echinococcus multilocularis neuropeptide receptor A26 0.0535 1 1
Leishmania major trypanothione reductase 0.0044 0.0147 0.0261
Trypanosoma cruzi galactokinase, putative 0.0197 0.3213 0.5688
Trypanosoma brucei galactokinase-like protein, putative 0.015 0.2273 0.4024
Trichomonas vaginalis galactokinase, putative 0.012 0.1671 0.2958
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0056 0.0389 0.0688
Trichomonas vaginalis CAMK family protein kinase 0.0318 0.5648 1
Trypanosoma brucei phosphomevalonate kinase protein, putative 0.0086 0.0993 0.1758
Trypanosoma cruzi galactokinase-like protein, putative 0.0197 0.3213 0.5688
Trichomonas vaginalis galactokinase, putative 0.0049 0.0262 0.0464
Brugia malayi mevalonate kinase family protein 0.0086 0.0993 0.1758
Trichomonas vaginalis CAMK family protein kinase 0.0157 0.2427 0.4297
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0318 0.5648 1
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0318 0.5648 0.5648
Trypanosoma brucei homoserine kinase 0.0086 0.0993 0.1758
Trypanosoma cruzi fucose kinase, putative 0.0049 0.0262 0.0464
Echinococcus multilocularis N acetylgalactosamine kinase 0.012 0.1671 0.1671
Leishmania major mevalonate kinase, putative 0.0086 0.0993 0.1758

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

Bibliographic References

No literature references available for this target.

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