Detailed information for compound 671653

Basic information

Technical information
  • TDR Targets ID: 671653
  • Name: (E)-N-(3-acetylphenyl)-3-(2-chloro-6-fluoroph enyl)prop-2-enamide
  • MW: 317.742 | Formula: C17H13ClFNO2
  • H donors: 1 H acceptors: 2 LogP: 3.59 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1cccc(c1)C(=O)C)C=Cc1c(F)cccc1Cl
  • InChi: 1S/C17H13ClFNO2/c1-11(21)12-4-2-5-13(10-12)20-17(22)9-8-14-15(18)6-3-7-16(14)19/h2-10H,1H3,(H,20,22)/b9-8+
  • InChiKey: GITDFYROBCOSBD-CMDGGOBGSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(3-acetylphenyl)-3-(2-chloro-6-fluorophenyl)prop-2-enamide
  • N-(3-acetylphenyl)-3-(2-chloro-6-fluoro-phenyl)prop-2-enamide
  • (E)-N-(3-acetylphenyl)-3-(2-chloro-6-fluoro-phenyl)prop-2-enamide
  • (E)-N-(3-acetylphenyl)-3-(2-chloro-6-fluoro-phenyl)acrylamide
  • N-(3-acetylphenyl)-3-(2-chloro-6-fluoro-phenyl)acrylamide
  • (E)-3-(2-chloro-6-fluoro-phenyl)-N-(3-ethanoylphenyl)prop-2-enamide
  • 3-(2-chloro-6-fluoro-phenyl)-N-(3-ethanoylphenyl)prop-2-enamide
  • ZINC00473694

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
Giardia lamblia NADH oxidase lateral transfer candidate 0.0032 0.0152 0.0676
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0032 0.0152 0.0047
Entamoeba histolytica phosphoglycerate kinase, putative 0.0182 0.225 1
Toxoplasma gondii PAN domain-containing protein 0.0316 0.411 1
Treponema pallidum phosphoglycerate kinase 0.0182 0.225 1
Trypanosoma brucei importin beta-1 subunit, putative 0.0031 0.0142 0.0632
Trichomonas vaginalis phosphoglycerate kinase, putative 0.0182 0.225 0.6935
Schistosoma mansoni importin beta-1 0.0031 0.0142 0.0142
Trypanosoma brucei phosphoglycerate kinase, putative 0.0067 0.0644 0.2861
Trypanosoma brucei polo-like protein kinase 0.0101 0.1121 0.4981
Trichomonas vaginalis glutathione reductase, putative 0.0032 0.0152 0.0469
Giardia lamblia Kinase, PLK 0.0101 0.1121 0.4981
Brugia malayi Apoptosis regulator proteins, Bcl-2 family protein 0.0089 0.0947 0.3364
Loa Loa (eye worm) hypothetical protein 0.0031 0.0142 0.0331
Leishmania major trypanothione reductase 0.0091 0.0981 0.4362
Entamoeba histolytica hypothetical protein 0.0025 0.0061 0.0271
Schistosoma mansoni bcl-2 homologous antagonist/killer (bak) 0.0089 0.0947 0.0947
Leishmania major phosphoglycerate kinase B, cytosolic 0.0182 0.225 1
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0032 0.0152 0.0676
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0032 0.0152 0.0676
Leishmania major PAS-domain containing phosphoglycerate kinase, putative 0.0067 0.0644 0.2861
Plasmodium falciparum thioredoxin reductase 0.0091 0.0981 0.3981
Echinococcus multilocularis SUMO activating enzyme subunit 1 0.0052 0.0431 0.0431
Leishmania major DNA polymerase eta, putative 0.0048 0.038 0.1688
Trypanosoma cruzi importin beta-1 subunit, putative 0.0025 0.0061 0.0271
Brugia malayi ImpB/MucB/SamB family protein 0.0048 0.038 0.1349
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0032 0.0152 0.0152
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0067 0.0644 0.2861
Schistosoma mansoni ubiquitin-activating enzyme E1b 0.0034 0.0185 0.0185
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0032 0.0152 0.0025
Mycobacterium tuberculosis Probable oxidoreductase 0.0231 0.293 1
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0101 0.1121 0.4981
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0032 0.0152 0.0047
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0034 0.0181 0.0099
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0032 0.0152 0.0676
Echinococcus multilocularis microtubule associated protein 2 0.074 1 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0032 0.0157 0.0157
Echinococcus multilocularis dna polymerase eta 0.0048 0.038 0.038
Entamoeba histolytica serine/threonine protein kinase, putative 0.0101 0.1121 0.4981
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0032 0.0152 0.0676
Loa Loa (eye worm) hypothetical protein 0.0089 0.0947 0.2201
Onchocerca volvulus Serine\/threonine kinase homolog 0.0101 0.1121 0.3121
Brugia malayi Thioredoxin reductase 0.0091 0.0981 0.3485
Trichomonas vaginalis CAMK family protein kinase 0.0101 0.1121 0.3454
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0208 0.2607 0.8898
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0231 0.293 1
Plasmodium falciparum glutathione reductase 0.0091 0.0981 0.3981
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.0061 0.0188
Toxoplasma gondii hypothetical protein 0.0052 0.0431 0.0728
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0067 0.0644 0.2861
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0157 0.0157
Brugia malayi ThiF family protein 0.0052 0.0431 0.1531
Echinococcus granulosus importin subunit beta 1 0.0031 0.0142 0.0142
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0032 0.0152 0.0676
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0032 0.0152 0.0676
Trypanosoma brucei ubiquitin-activating enzyme E1, putative 0.0034 0.0185 0.0823
Trichomonas vaginalis CAMK family protein kinase 0.0101 0.1121 0.3454
Mycobacterium ulcerans phosphoglycerate kinase 0.0182 0.225 1
Echinococcus granulosus Bcl 2 ous antagonist:killer 0.0089 0.0947 0.0947
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0032 0.0152 0.0676
Plasmodium falciparum SUMO-activating enzyme subunit 2 0.0034 0.0185 0.0204
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0231 0.293 1
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0032 0.0152 0.0047
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0023 0.0035 0.0125
Leishmania major phosphoglycerate kinase C, glycosomal 0.0182 0.225 1
Brugia malayi Phosphoglycerate kinase 0.0182 0.225 0.7991
Plasmodium vivax phosphoglycerate kinase, putative 0.0182 0.225 1
Plasmodium falciparum thioredoxin reductase 0.0032 0.0152 0.0047
Wolbachia endosymbiont of Brugia malayi phosphoglycerate kinase 0.0182 0.225 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0032 0.0152 0.0676
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0031 0.0141 0.0141
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0208 0.2607 0.5251
Echinococcus multilocularis Bcl 2 ous antagonist:killer 0.0089 0.0947 0.0947
Schistosoma mansoni hypothetical protein 0.0089 0.0947 0.0947
Trichomonas vaginalis phosphoglycerate kinase, putative 0.0182 0.225 0.6935
Loa Loa (eye worm) hypothetical protein 0.0182 0.225 0.523
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0182 0.225 1
Trichomonas vaginalis importin beta-1, putative 0.0025 0.0061 0.0188
Trypanosoma cruzi DNA polymerase eta, putative 0.0048 0.038 0.1688
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0032 0.0152 0.0676
Schistosoma mansoni sumo-1-activating enzyme E1a 0.0047 0.0365 0.0365
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0157 0.0157
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0231 0.293 1
Onchocerca volvulus 0.0254 0.3244 1
Loa Loa (eye worm) apoptosis regulator protein 0.0089 0.0947 0.2201
Echinococcus multilocularis importin subunit beta 1 0.0031 0.0142 0.0142
Trichomonas vaginalis set domain proteins, putative 0.0254 0.3244 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0092 0.0989 0.0989
Plasmodium vivax glutathione reductase, putative 0.0091 0.0981 0.3981
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0032 0.0152 0.054
Plasmodium vivax SET domain protein, putative 0.0032 0.0157 0.0072
Schistosoma mansoni sumo-1-activating enzyme E1a 0.0052 0.0431 0.0431
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0067 0.0644 0.2861
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0032 0.0157 0.0157
Mycobacterium tuberculosis Probable phosphoglycerate kinase Pgk 0.0182 0.225 0.7678
Schistosoma mansoni apoptosis regulator bax 0.0089 0.0947 0.0947
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0032 0.0152 0.0676
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0208 0.2607 0.8898
Echinococcus granulosus SUMO activating enzyme subunit 1 0.0052 0.0431 0.0431
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0157 0.0157
Brugia malayi Importin beta-1 subunit 0.0031 0.0142 0.0505
Echinococcus granulosus phosphoglycerate kinase 1 0.0182 0.225 0.225
Loa Loa (eye worm) ThiF family protein 0.0034 0.0185 0.043
Trichomonas vaginalis CAMK family protein kinase 0.005 0.0409 0.1262
Trypanosoma brucei phosphoglycerate kinase 0.0067 0.0644 0.2861
Schistosoma mansoni phosphoglycerate kinase 0.0182 0.225 0.225
Plasmodium falciparum SUMO-activating enzyme subunit 1 0.0052 0.0431 0.137
Toxoplasma gondii phosphoglycerate kinase PGKII 0.0182 0.225 0.5311
Leishmania major importin beta-1 subunit, putative 0.0025 0.0061 0.0271
Echinococcus multilocularis EGFP:Bcl2 fusion protein 0.0089 0.0947 0.0947
Brugia malayi Pre-SET motif family protein 0.0223 0.2815 1
Schistosoma mansoni kinase 0.0051 0.0428 0.0428
Chlamydia trachomatis phosphoglycerate kinase 0.0182 0.225 1
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0032 0.0152 0.0676
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0032 0.0152 0.0676
Trichomonas vaginalis mercuric reductase, putative 0.0032 0.0152 0.0469
Schistosoma mansoni hypothetical protein 0.0089 0.0947 0.0947
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0023 0.0035 0.0125
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0032 0.0152 0.0676
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0208 0.2607 0.8898
Loa Loa (eye worm) hypothetical protein 0.0052 0.0431 0.1002
Echinococcus granulosus EGFP:Bcl2 fusion protein 0.0089 0.0947 0.0947
Plasmodium vivax SUMO-activating enzyme subunit 2, putative 0.0034 0.0185 0.0204
Schistosoma mansoni DNA polymerase eta 0.0048 0.038 0.038
Brugia malayi Pre-SET motif family protein 0.0032 0.0157 0.0559
Schistosoma mansoni serine/threonine protein kinase 0.0101 0.1121 0.1121
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0032 0.0152 0.0676
Trichomonas vaginalis CAMK family protein kinase 0.0101 0.1121 0.3454
Brugia malayi RNA, U transporter 1 0.0088 0.0935 0.332
Echinococcus multilocularis phosphoglycerate kinase 1 0.0182 0.225 0.225
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0091 0.0981 0.3349
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0032 0.0152 0.0676
Trypanosoma cruzi polo-like protein kinase, putative 0.0101 0.1121 0.4981
Schistosoma mansoni hypothetical protein 0.033 0.4301 0.4301
Toxoplasma gondii thioredoxin reductase 0.0091 0.0981 0.2114
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0032 0.0152 0.0676
Trichomonas vaginalis CAMK family protein kinase 0.0101 0.1121 0.3454
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0101 0.1121 0.1121
Plasmodium falciparum phosphoglycerate kinase 0.0182 0.225 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0101 0.1121 0.4981
Trichomonas vaginalis CAMK family protein kinase 0.0101 0.1121 0.3454
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0223 0.2815 0.6544
Leishmania major DNA polymerase eta, putative 0.0034 0.0181 0.0806
Trypanosoma cruzi trypanothione reductase, putative 0.0091 0.0981 0.4362
Echinococcus granulosus sumo-activating enzyme subunit 2 0.0034 0.0185 0.0185
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0032 0.0152 0.0152
Trypanosoma brucei DNA polymerase eta, putative 0.0048 0.038 0.1688
Echinococcus granulosus dna polymerase eta 0.0048 0.038 0.038
Schistosoma mansoni microtubule-associated protein tau 0.074 1 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0092 0.0989 0.0989
Toxoplasma gondii ThiF family protein 0.0034 0.0185 0.0108
Echinococcus granulosus snurportin 1 0.033 0.4301 0.4301
Trypanosoma cruzi ubiquitin-activating enzyme, putative 0.0034 0.0185 0.0823
Brugia malayi serine/threonine-protein kinase plk-2 0.0101 0.1121 0.3981
Plasmodium vivax thioredoxin reductase, putative 0.0091 0.0981 0.3981
Toxoplasma gondii PAN domain-containing protein 0.0316 0.411 1
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0067 0.0644 0.2861
Brugia malayi Phosphoglycerate kinase 0.0067 0.0644 0.2287
Giardia lamblia Phosphoglycerate kinase 0.0182 0.225 1
Loa Loa (eye worm) thioredoxin reductase 0.0091 0.0981 0.2281
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0032 0.0152 0.0152
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0032 0.0157 0.0038
Trichomonas vaginalis CAMK family protein kinase 0.005 0.0409 0.1262
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0101 0.1121 0.2605
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.0061 0.0188
Trypanosoma brucei phosphoglycerate kinase 0.0182 0.225 1
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0032 0.0152 0.0519
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0101 0.1121 0.1121
Trypanosoma cruzi ubiquitin-activating enzyme, putative 0.0029 0.0119 0.053
Loa Loa (eye worm) glutathione reductase 0.0091 0.0981 0.2281
Trichomonas vaginalis CAMK family protein kinase 0.0101 0.1121 0.3454
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0032 0.0152 0.0676
Leishmania major ubiquitin-activating enzyme-like protein 0.0034 0.0185 0.0823
Mycobacterium tuberculosis Probable dehydrogenase 0.0208 0.2607 0.8898
Toxoplasma gondii phosphoglycerate kinase PGKI 0.0182 0.225 0.5311
Schistosoma mansoni hypothetical protein 0.0089 0.0947 0.0947
Brugia malayi glutathione reductase 0.0091 0.0981 0.3485
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0032 0.0152 0.0676
Trypanosoma brucei trypanothione reductase 0.0091 0.0981 0.4362
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0032 0.0157 0.0157
Plasmodium falciparum glutathione reductase 0.0032 0.0152 0.0047
Brugia malayi ThiF family protein 0.0034 0.0185 0.0658
Echinococcus multilocularis snurportin 1 0.033 0.4301 0.4301
Loa Loa (eye worm) hypothetical protein 0.0032 0.0157 0.0366
Trypanosoma cruzi 3-phosphoglycerate kinase, glycosomal 0.0067 0.0644 0.2861
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0182 0.225 1
Trypanosoma brucei phosphoglycerate kinase 0.0182 0.225 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0032 0.0152 0.0676
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0208 0.2607 0.8898
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0032 0.0152 0.0047
Schistosoma mansoni phosphoglycerate kinase 0.0182 0.225 0.225
Loa Loa (eye worm) hypothetical protein 0.0048 0.038 0.0883
Toxoplasma gondii NADPH-glutathione reductase 0.0032 0.0152 0.0025
Plasmodium vivax ubiquitin activating enzyme, putative 0.0052 0.0431 0.137
Trypanosoma cruzi DNA polymerase eta, putative 0.0034 0.0181 0.0806
Trichomonas vaginalis CAMK family protein kinase 0.0101 0.1121 0.3454
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.033 0.4301 1
Echinococcus multilocularis SUMO activating enzyme subunit 2 0.0034 0.0185 0.0185
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0032 0.0157 0.0157
Trypanosoma cruzi trypanothione reductase, putative 0.0032 0.0152 0.0676
Trypanosoma brucei importin beta-1 subunit, putative 0.0031 0.0142 0.0632
Mycobacterium tuberculosis Probable reductase 0.0208 0.2607 0.8898

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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