Detailed information for compound 649049

Basic information

Technical information
  • TDR Targets ID: 649049
  • Name: (E)-2-cyano-3-(3,5-dibromo-4-prop-2-enoxyphen yl)-N-(4-methoxyphenyl)prop-2-enamide
  • MW: 492.161 | Formula: C20H16Br2N2O3
  • H donors: 1 H acceptors: 2 LogP: 5.63 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=CCOc1c(Br)cc(cc1Br)C=C(C(=O)Nc1ccc(cc1)OC)C#N
  • InChi: 1S/C20H16Br2N2O3/c1-3-8-27-19-17(21)10-13(11-18(19)22)9-14(12-23)20(25)24-15-4-6-16(26-2)7-5-15/h3-7,9-11H,1,8H2,2H3,(H,24,25)/b14-9+
  • InChiKey: DGJLUGSQXFXRIE-NTEUORMPSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (E)-2-cyano-3-(3,5-dibromo-4-prop-2-enoxy-phenyl)-N-(4-methoxyphenyl)prop-2-enamide
  • (E)-3-(4-allyloxy-3,5-dibromo-phenyl)-2-cyano-N-(4-methoxyphenyl)prop-2-enamide
  • (E)-3-(4-allyloxy-3,5-dibromophenyl)-2-cyano-N-(4-methoxyphenyl)prop-2-enamide
  • (E)-3-(4-allyloxy-3,5-dibromo-phenyl)-2-cyano-N-(4-methoxyphenyl)acrylamide
  • 2-cyano-3-(3,5-dibromo-4-prop-2-enoxyphenyl)-N-(4-methoxyphenyl)prop-2-enamide
  • 2-cyano-3-(3,5-dibromo-4-prop-2-enoxy-phenyl)-N-(4-methoxyphenyl)prop-2-enamide
  • 3-(4-allyloxy-3,5-dibromo-phenyl)-2-cyano-N-(4-methoxyphenyl)prop-2-enamide
  • 3-(4-allyloxy-3,5-dibromophenyl)-2-cyano-N-(4-methoxyphenyl)prop-2-enamide
  • 3-(4-allyloxy-3,5-dibromo-phenyl)-2-cyano-N-(4-methoxyphenyl)acrylamide
  • STK182553
  • ZINC02860229

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 bromodomain adjacent to zinc finger domain 0.0038 0.0249 0.0533
Loa Loa (eye worm) hypothetical protein 0.004 0.0281 0.0602
Brugia malayi dihydrofolate reductase family protein 0.0388 0.4662 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0306 0.3626 1
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0251 0.2941 0.6241
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.0386 0.0661
Echinococcus multilocularis geminin 0.017 0.1912 0.1912
Loa Loa (eye worm) jmjC domain-containing protein 0.0039 0.0265 0.0569
Plasmodium vivax hypothetical protein, conserved 0.0036 0.0223 0.02
Leishmania major hypothetical protein, conserved 0.0036 0.0223 0.0427
Loa Loa (eye worm) hypothetical protein 0.0043 0.0312 0.0669
Schistosoma mansoni jumonji/arid domain-containing protein 0.0039 0.0265 0.0569
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.0386 0.0661
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0283 0.334 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0223 0.0478
Schistosoma mansoni hypothetical protein 0.003 0.0159 0.0342
Trichomonas vaginalis glucosylceramidase, putative 0.0251 0.2941 0.7989
Schistosoma mansoni zinc finger protein 0.002 0.0033 0.0071
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0306 0.3626 1
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0223 0.0427
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0223 0.0478
Brugia malayi beta-lactamase family protein 0.0036 0.0223 0.0304
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.0134 0.1458 0.4219
Leishmania major choline/Carnitine o-acyltransferase-like protein 0.0134 0.1458 0.4219
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0108 0.113 0.2044
Loa Loa (eye worm) hypothetical protein 0.0048 0.0386 0.0829
Loa Loa (eye worm) carnitine O-palmitoyltransferase I isoform 0.0024 0.0084 0.018
Brugia malayi Bromodomain containing protein 0.004 0.028 0.0428
Loa Loa (eye worm) hypothetical protein 0.0036 0.0223 0.0478
Echinococcus granulosus jumonji domain containing protein 0.0042 0.031 0.0665
Trichomonas vaginalis glucosylceramidase, putative 0.0251 0.2941 0.7989
Schistosoma mansoni choline o-acyltransferase 0.0024 0.0084 0.018
Echinococcus multilocularis thymidylate synthase 0.0108 0.113 0.113
Brugia malayi RNA binding protein 0.0063 0.0574 0.1071
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0062 0.0562 0.1205
Loa Loa (eye worm) PHD-finger family protein 0.0022 0.0047 0.0101
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0283 0.334 1
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0574 0.1231
Brugia malayi hypothetical protein 0.0051 0.042 0.0734
Onchocerca volvulus Glucosylceramidase homolog 0.0165 0.1853 0.5129
Loa Loa (eye worm) hypothetical protein 0.003 0.0159 0.0342
Echinococcus multilocularis choline O acetyltransferase 0.0024 0.0084 0.0084
Loa Loa (eye worm) MH2 domain-containing protein 0.0119 0.1281 0.2747
Schistosoma mansoni choline o-acyltransferase 0.0024 0.0084 0.018
Loa Loa (eye worm) transcription factor SMAD2 0.0119 0.1281 0.2747
Onchocerca volvulus 0.0036 0.0223 0.0403
Schistosoma mansoni dihydrofolate reductase 0.0388 0.4662 1
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0024 0.0072 0.0155
Leishmania major pteridine reductase 1 0.0197 0.2258 0.6678
Schistosoma mansoni hypothetical protein 0.0022 0.0047 0.0101
Brugia malayi PHD-finger family protein 0.0026 0.0104 0.0043
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0306 0.3626 1
Echinococcus granulosus choline O acetyltransferase 0.0024 0.0084 0.018
Loa Loa (eye worm) choline O-acetyltransferase 0.0024 0.0084 0.018
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0149 0.1656 0.3228
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0223 0.0304
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.01 0.1033 0.2216
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.0134 0.1458 0.4219
Schistosoma mansoni jumonji domain containing protein 0.0079 0.0775 0.1662
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0283 0.334 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0223 0.0478
Echinococcus granulosus lysine specific demethylase 5A 0.0039 0.0265 0.0569
Onchocerca volvulus 0.0036 0.0223 0.0403
Loa Loa (eye worm) hypothetical protein 0.0036 0.0223 0.0478
Chlamydia trachomatis dihydrofolate reductase 0.0388 0.4662 0.5
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0306 0.3626 1
Trichomonas vaginalis glucosylceramidase, putative 0.0251 0.2941 0.7989
Toxoplasma gondii ABC1 family protein 0.0036 0.0223 0.02
Trichomonas vaginalis glucosylceramidase, putative 0.0251 0.2941 0.7989
Treponema pallidum fructose-bisphosphate aldolase 0.0306 0.3626 0.5
Trypanosoma brucei pteridine reductase 1 0.0194 0.2226 0.6578
Echinococcus multilocularis PHD finger protein rhinoceros 0.003 0.0159 0.0159
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.0386 0.0829
Brugia malayi jmjC domain containing protein 0.01 0.1033 0.2073
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0223 0.0478
Onchocerca volvulus Alhambra homolog 0.003 0.0159 0.0219
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0251 0.2941 0.6308
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0574 0.1231
Loa Loa (eye worm) hypothetical protein 0.0045 0.0337 0.0723
Brugia malayi TAR-binding protein 0.0063 0.0574 0.1071
Echinococcus granulosus fetal alzheimer antigen falz 0.0024 0.0072 0.0155
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0306 0.3626 0.5
Brugia malayi Bromodomain containing protein 0.0033 0.0191 0.0233
Loa Loa (eye worm) dihydrofolate reductase 0.0388 0.4662 1
Loa Loa (eye worm) thymidylate synthase 0.0108 0.113 0.2424
Echinococcus multilocularis tar DNA binding protein 0.0063 0.0574 0.0574
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0223 0.0478
Trichomonas vaginalis glucosylceramidase, putative 0.0165 0.1853 0.4789
Trichomonas vaginalis glucosylceramidase, putative 0.0165 0.1853 0.4789
Loa Loa (eye worm) hypothetical protein 0.0298 0.3532 0.7576
Brugia malayi PHD-finger family protein 0.003 0.0159 0.0165
Brugia malayi hypothetical protein 0.0298 0.3532 0.7532
Loa Loa (eye worm) PHD-finger family protein 0.003 0.0159 0.0342
Trichomonas vaginalis conserved hypothetical protein 0.0051 0.042 0.0579
Brugia malayi thymidylate synthase 0.0108 0.113 0.2285
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0283 0.334 1
Giardia lamblia Fructose-bisphosphate aldolase 0.0306 0.3626 1
Echinococcus multilocularis peregrin 0.0033 0.0191 0.0191
Loa Loa (eye worm) hypothetical protein 0.0052 0.0434 0.093
Schistosoma mansoni bromodomain containing protein 0.0066 0.0609 0.1306
Trichomonas vaginalis glucosylceramidase, putative 0.0165 0.1853 0.4789
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0149 0.1656 0.3228
Echinococcus multilocularis carnitine O palmitoyltransferase 2 0.0024 0.0084 0.0084
Brugia malayi beta-lactamase family protein 0.0036 0.0223 0.0304
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0227 0.2635 0.5433
Brugia malayi beta-lactamase 0.0036 0.0223 0.0304
Onchocerca volvulus 0.0108 0.113 0.3034
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0574 0.1231
Trichomonas vaginalis glucosylceramidase, putative 0.0251 0.2941 0.7989
Echinococcus granulosus PHD finger protein rhinoceros 0.003 0.0159 0.0342
Echinococcus multilocularis jumonji domain containing protein 0.0042 0.031 0.031
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.0134 0.1458 0.3001
Loa Loa (eye worm) TAR-binding protein 0.0063 0.0574 0.1231
Loa Loa (eye worm) choline/Carnitine O-acyltransferase 0.0024 0.0084 0.018
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0038 0.0249 0.0249
Loa Loa (eye worm) hypothetical protein 0.0024 0.0084 0.018
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.0051 0.042 0.1032
Onchocerca volvulus 0.0036 0.0223 0.0403
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0223 0.0427
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0108 0.113 0.2424
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0062 0.0562 0.0562
Echinococcus multilocularis zinc finger protein 0.002 0.0033 0.0033
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0223 0.0478
Brugia malayi RNA recognition motif domain containing protein 0.0063 0.0574 0.1071
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0388 0.4662 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0193 0.0414
Echinococcus multilocularis lysine specific demethylase 5A 0.0037 0.024 0.024
Schistosoma mansoni hypothetical protein 0.0033 0.0193 0.0414
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0283 0.334 1
Trichomonas vaginalis glucosylceramidase, putative 0.0165 0.1853 0.4789
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0388 0.4662 1
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.0388 0.4662 1
Schistosoma mansoni hypothetical protein 0.017 0.1912 0.4101
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0063 0.0574 0.1231
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0574 0.1231
Mycobacterium ulcerans thymidylate synthase 0.0108 0.113 0.2044
Loa Loa (eye worm) hypothetical protein 0.0074 0.0707 0.1516
Brugia malayi MH2 domain containing protein 0.0119 0.1281 0.2614
Trichomonas vaginalis glucosylceramidase, putative 0.0174 0.1964 0.5118
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0574 0.1231
Trichomonas vaginalis glucosylceramidase, putative 0.0174 0.1964 0.5118
Echinococcus granulosus carnitine O palmitoyltransferase 1 liver 0.0134 0.1458 0.3127
Trichomonas vaginalis glucosylceramidase, putative 0.0251 0.2941 0.7989
Echinococcus multilocularis carnitine O palmitoyltransferase 1, liver 0.0134 0.1458 0.1458
Echinococcus granulosus thymidylate synthase 0.0108 0.113 0.2424
Loa Loa (eye worm) bromodomain containing protein 0.0018 0.0008 0.0017
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0108 0.113 0.2044
Echinococcus multilocularis dihydrofolate reductase 0.0388 0.4662 0.4662
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0306 0.3626 1
Brugia malayi Bromodomain containing protein 0.0078 0.0763 0.1484
Schistosoma mansoni jumonji/arid domain-containing protein 0.0039 0.0265 0.0569
Mycobacterium tuberculosis Hypothetical protein 0.0051 0.042 0.0444
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0306 0.3626 0.5
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.0223 0.0427
Echinococcus granulosus peregrin 0.0033 0.0191 0.0409
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0193 0.0238
Trichomonas vaginalis glucosylceramidase, putative 0.0165 0.1853 0.4789
Brugia malayi jmjC domain containing protein 0.0039 0.0265 0.0396
Schistosoma mansoni hypothetical protein 0.017 0.1912 0.4101
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0024 0.0072 0.0072
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0283 0.334 1
Onchocerca volvulus 0.0298 0.3532 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0306 0.3626 1
Echinococcus granulosus carnitine O palmitoyltransferase 2 0.0024 0.0084 0.018
Loa Loa (eye worm) jmjC domain-containing protein 0.0063 0.0568 0.1219
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.01 0.1033 0.1033
Echinococcus granulosus geminin 0.017 0.1912 0.4101
Loa Loa (eye worm) hypothetical protein 0.0134 0.1458 0.3127
Loa Loa (eye worm) hypothetical protein 0.0036 0.0223 0.0478
Loa Loa (eye worm) beta-lactamase 0.0036 0.0223 0.0478
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0306 0.3626 1
Echinococcus granulosus zinc finger protein 0.002 0.0033 0.0071
Echinococcus granulosus tar DNA binding protein 0.0063 0.0574 0.1231
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0223 0.0223
Echinococcus granulosus dihydrofolate reductase 0.0388 0.4662 1
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0149 0.1656 0.3228
Trichomonas vaginalis glucosylceramidase, putative 0.0165 0.1853 0.4789
Loa Loa (eye worm) RNA binding protein 0.0063 0.0574 0.1231
Loa Loa (eye worm) hypothetical protein 0.0036 0.0223 0.0478
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.003 0.0159 0.0342
Trichomonas vaginalis glucosylceramidase, putative 0.0165 0.1853 0.4789
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0306 0.3626 1
Brugia malayi Dihydrofolate reductase 0.0388 0.4662 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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