Detailed information for compound 1320076

Basic information

Technical information
  • TDR Targets ID: 1320076
  • Name: N'-(2,5-dimethylphenyl)-N-[2-[2-(3-fluorophen yl)-1,3-thiazol-4-yl]ethyl]oxamide
  • MW: 397.466 | Formula: C21H20FN3O2S
  • H donors: 2 H acceptors: 3 LogP: 4.32 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(c(c1)NC(=O)C(=O)NCCc1csc(n1)c1cccc(c1)F)C
  • InChi: 1S/C21H20FN3O2S/c1-13-6-7-14(2)18(10-13)25-20(27)19(26)23-9-8-17-12-28-21(24-17)15-4-3-5-16(22)11-15/h3-7,10-12H,8-9H2,1-2H3,(H,23,26)(H,25,27)
  • InChiKey: DNEYPRASBLTIBO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N'-(2,5-dimethylphenyl)-N-[2-[2-(3-fluorophenyl)thiazol-4-yl]ethyl]oxamide
  • N'-(2,5-dimethylphenyl)-N-[2-[2-(3-fluorophenyl)-4-thiazolyl]ethyl]oxamide
  • N'-(2,5-dimethylphenyl)-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]ethanediamide
  • ZINC04375540
  • G571-0252
  • NCGC00132124-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.2675 0.2671
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0276 1
Brugia malayi latrophilin 2 splice variant baaae 0.0071 0.1832 0.2379
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0127 0.0127
Schistosoma mansoni aldehyde dehydrogenase 0.0127 0.3718 0.3715
Echinococcus multilocularis muscleblind protein 0.0147 0.4378 0.4378
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0018 0.0065 0.0061
Brugia malayi Smad1 0.0017 0.0035 0.0033
Schistosoma mansoni tar DNA-binding protein 0.0195 0.5979 0.5977
Echinococcus granulosus lamin dm0 0.0033 0.0561 0.0561
Loa Loa (eye worm) hypothetical protein 0.004 0.0801 0.0801
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0103 0.2921 0.2921
Schistosoma mansoni hypothetical protein 0.0033 0.0567 0.0562
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0022 0.0202 0.4314
Schistosoma mansoni tar DNA-binding protein 0.0195 0.5979 0.5977
Echinococcus granulosus zinc finger protein 0.002 0.0153 0.0153
Trypanosoma cruzi importin beta-1 subunit, putative 0.0024 0.0276 0.9132
Schistosoma mansoni lamin 0.0033 0.0561 0.0556
Echinococcus granulosus muscleblind protein 0.0147 0.4378 0.4378
Loa Loa (eye worm) hypothetical protein 0.0025 0.0302 0.0302
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.002 0.0127 0.412
Brugia malayi intermediate filament protein 0.0033 0.0561 0.072
Brugia malayi RNA, U transporter 1 0.0084 0.228 0.2965
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0018 0.0065 0.0065
Schistosoma mansoni hypothetical protein 0.0316 1 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.0949 0.0949
Loa Loa (eye worm) TAR-binding protein 0.0195 0.5979 0.5979
Loa Loa (eye worm) hypothetical protein 0.0147 0.4378 0.4378
Schistosoma mansoni bromodomain containing protein 0.0066 0.1661 0.1657
Schistosoma mansoni lamin 0.0033 0.0561 0.0556
Onchocerca volvulus 0.0033 0.0561 0.5
Echinococcus granulosus tar DNA binding protein 0.0195 0.5979 0.5979
Echinococcus granulosus histone lysine methyltransferase setb 0.0018 0.0065 0.0065
Loa Loa (eye worm) RNA binding protein 0.0195 0.5979 0.5979
Brugia malayi MH2 domain containing protein 0.0017 0.0035 0.0033
Echinococcus multilocularis importin subunit beta 1 0.003 0.0463 0.0463
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0022 0.0202 1
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0127 0.0154
Echinococcus multilocularis lamin dm0 0.0033 0.0561 0.0561
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.2675 0.2671
Schistosoma mansoni hypothetical protein 0.0021 0.0189 0.0184
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0058 0.0058
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0037 0.0717 0.0717
Echinococcus granulosus mothers against decapentaplegic 5 0.0017 0.0035 0.0035
Schistosoma mansoni hypothetical protein 0.0033 0.0567 0.0562
Leishmania major hypothetical protein, conserved 0.0025 0.0302 0.08
Schistosoma mansoni methyl-cpg binding protein mbd 0.0018 0.0065 0.0061
Leishmania major GTP-binding protein, putative 0.0022 0.0202 0.0532
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0127 0.0127
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.0463 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0033 0.0567 0.0567
Echinococcus multilocularis smad 0.0017 0.0035 0.0035
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0023 0.0255 0.025
Toxoplasma gondii HEAT repeat-containing protein 0.003 0.0463 0.0934
Loa Loa (eye worm) hypothetical protein 0.0071 0.1832 0.1832
Echinococcus granulosus smad 0.0017 0.0035 0.0035
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0062 0.1537 0.1537
Schistosoma mansoni zinc finger protein 0.002 0.0153 0.0148
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0561 0.072
Plasmodium falciparum importin beta, putative 0.003 0.0463 1
Brugia malayi Importin beta-1 subunit 0.003 0.0463 0.0592
Toxoplasma gondii aldehyde dehydrogenase 0.0127 0.3718 1
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0022 0.0202 0.0202
Loa Loa (eye worm) PHD-finger family protein 0.0021 0.0189 0.0189
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0096 0.2675 0.2675
Echinococcus multilocularis musashi 0.0033 0.0561 0.0561
Brugia malayi MH2 domain containing protein 0.0246 0.7668 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0096 0.2675 0.2675
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0195 0.5979 0.5979
Schistosoma mansoni hypothetical protein 0.0033 0.0567 0.0562
Schistosoma mansoni importin beta-1 0.003 0.0463 0.0458
Echinococcus multilocularis GPCR, family 2 0.0033 0.0567 0.0567
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0096 0.2675 0.2675
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0561 0.0561
Echinococcus multilocularis lamin 0.0033 0.0561 0.0561
Loa Loa (eye worm) hypothetical protein 0.003 0.0463 0.0463
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0096 0.2675 0.348
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0033 0.0567 0.0567
Schistosoma mansoni smad1 5 8 and 0.0017 0.0035 0.003
Echinococcus multilocularis zinc finger protein 0.002 0.0153 0.0153
Brugia malayi MH1 domain containing protein 0.0017 0.0035 0.0033
Brugia malayi Bromodomain containing protein 0.0078 0.2065 0.2684
Brugia malayi RNA binding protein 0.0195 0.5979 0.7795
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0033 0.0567 0.0728
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0127 0.3718 1
Schistosoma mansoni ap endonuclease 0.002 0.0127 0.0122
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0127 0.0127
Echinococcus granulosus fetal alzheimer antigen falz 0.0023 0.0255 0.0255
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0127 0.3718 0.3718
Trichomonas vaginalis ran, putative 0.0022 0.0202 0.5042
Leishmania major importin beta-1 subunit, putative 0.0024 0.0276 0.0731
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.002 0.0127 0.2674
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0022 0.0202 0.2239
Loa Loa (eye worm) hypothetical protein 0.0042 0.0883 0.0883
Schistosoma mansoni ran 0.0022 0.0202 0.0198
Schistosoma mansoni hypothetical protein 0.0033 0.0567 0.0562
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0037 0.0717 0.0717
Schistosoma mansoni intermediate filament proteins 0.0033 0.0561 0.0556
Brugia malayi Latrophilin receptor protein 2 0.0033 0.0567 0.0728
Schistosoma mansoni tar DNA-binding protein 0.0195 0.5979 0.5977
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0096 0.2675 0.2675
Mycobacterium ulcerans aldehyde dehydrogenase 0.0127 0.3718 1
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0022 0.0202 0.0252
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0018 0.0065 0.0061
Brugia malayi Calcitonin receptor-like protein seb-1 0.0103 0.2921 0.3802
Loa Loa (eye worm) MH2 domain-containing protein 0.0246 0.7668 0.7668
Echinococcus multilocularis tar DNA binding protein 0.0195 0.5979 0.5979
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0302 0.649
Echinococcus granulosus TGF beta signal transducer SmadC 0.0017 0.0035 0.0035
Schistosoma mansoni ap endonuclease 0.002 0.0127 0.0122
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0033 0.0567 0.0567
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0017 0.0035 0.003
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0058 0.0063
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0316 1 1
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0022 0.0202 0.2239
Onchocerca volvulus 0.0033 0.0561 0.5
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0062 0.1537 0.1537
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.0463 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0541 0.0541
Schistosoma mansoni smad1 5 8 and 0.0017 0.0035 0.003
Loa Loa (eye worm) hypothetical protein 0.0018 0.0065 0.0065
Echinococcus multilocularis mothers against decapentaplegic 5 0.0017 0.0035 0.0035
Echinococcus granulosus Smad4 0.0017 0.0035 0.0035
Schistosoma mansoni tar DNA-binding protein 0.0195 0.5979 0.5977
Schistosoma mansoni smad1 5 8 and 0.0017 0.0035 0.003
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.2675 0.2671
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0022 0.0202 0.6647
Loa Loa (eye worm) transcription factor SMAD2 0.0246 0.7668 0.7668
Echinococcus granulosus intermediate filament protein 0.0033 0.0561 0.0561
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0561 0.0561
Schistosoma mansoni hypothetical protein 0.0071 0.1832 0.1828
Loa Loa (eye worm) hypothetical protein 0.0073 0.1918 0.1918
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.002 0.0127 0.033
Brugia malayi TAR-binding protein 0.0195 0.5979 0.7795
Loa Loa (eye worm) MH1 domain-containing protein 0.0017 0.0035 0.0035
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0033 0.0567 0.0567
Echinococcus granulosus methyl CpG binding domain protein 2 0.0018 0.0065 0.0065
Brugia malayi PHD-finger family protein 0.0026 0.0337 0.0427
Brugia malayi RNA recognition motif domain containing protein 0.0195 0.5979 0.7795
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0127 0.3718 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0018 0.0065 0.0065
Echinococcus multilocularis muscleblind protein 1 0.0147 0.4378 0.4378
Loa Loa (eye worm) hypothetical protein 0.0147 0.4378 0.4378
Mycobacterium ulcerans aldehyde dehydrogenase 0.0127 0.3718 1
Schistosoma mansoni Smad4 0.0017 0.0035 0.003
Loa Loa (eye worm) bromodomain containing protein 0.0018 0.0087 0.0087
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.002 0.0127 0.412
Schistosoma mansoni smad 0.0017 0.0035 0.003
Schistosoma mansoni methyl-cpg binding protein mbd 0.0018 0.0065 0.0061
Loa Loa (eye worm) hypothetical protein 0.0033 0.0561 0.0561
Brugia malayi hypothetical protein 0.0025 0.0302 0.0382
Echinococcus granulosus importin subunit beta 1 0.003 0.0463 0.0463
Brugia malayi Muscleblind-like protein 0.0147 0.4378 0.5704
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0302 0.5209
Entamoeba histolytica hypothetical protein 0.0024 0.0276 1
Brugia malayi MH1 domain containing protein 0.0017 0.0035 0.0033
Loa Loa (eye worm) hypothetical protein 0.0103 0.2921 0.2921
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0022 0.0202 0.0209
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.0127 0.5
Mycobacterium ulcerans aldehyde dehydrogenase 0.0127 0.3718 1
Schistosoma mansoni tar DNA-binding protein 0.0195 0.5979 0.5977
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0103 0.2921 0.3802
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0023 0.0255 0.0255
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0276 1
Echinococcus multilocularis snurportin 1 0.0316 1 1
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0022 0.0202 0.6647
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0302 1
Loa Loa (eye worm) Smad1 0.0017 0.0035 0.0035
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0096 0.2675 0.2675
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0302 0.5209
Schistosoma mansoni ran 0.0022 0.0202 0.0198
Trichomonas vaginalis importin beta-1, putative 0.0024 0.0276 1
Echinococcus multilocularis Smad4 0.0017 0.0035 0.0035
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0127 0.3718 0.3718
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0302 0.0486
Brugia malayi MH2 domain containing protein 0.0017 0.0035 0.0033
Plasmodium vivax importin-beta 2, putative 0.003 0.0463 1
Schistosoma mansoni aldehyde dehydrogenase 0.0127 0.3718 0.3715
Loa Loa (eye worm) MH2 domain-containing protein 0.0017 0.0035 0.0035
Loa Loa (eye worm) hypothetical protein 0.0033 0.0567 0.0567
Echinococcus granulosus lamin 0.0033 0.0561 0.0561
Loa Loa (eye worm) latrophilin receptor protein 2 0.0033 0.0567 0.0567
Echinococcus granulosus GPCR family 2 0.0033 0.0567 0.0567
Brugia malayi Bromodomain containing protein 0.004 0.0799 0.103
Echinococcus granulosus GTP binding nuclear protein Ran 0.0022 0.0202 0.0202
Entamoeba histolytica Ran family GTPase 0.0022 0.0202 0.5042
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0022 0.0202 0.0202
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0.0127 0.5
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0302 1
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0017 0.0035 0.0035
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0302 0.5209

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.005 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.1122 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference

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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