Detailed information for compound 706901

Basic information

Technical information
  • TDR Targets ID: 706901
  • Name: 2-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimid in-5-yl)sulfanyl-N-prop-2-enylacetamide
  • MW: 320.367 | Formula: C14H16N4O3S
  • H donors: 1 H acceptors: 4 LogP: 0.57 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=CCNC(=O)CSc1ccnc2c1c(=O)n(C)c(=O)n2C
  • InChi: 1S/C14H16N4O3S/c1-4-6-15-10(19)8-22-9-5-7-16-12-11(9)13(20)18(3)14(21)17(12)2/h4-5,7H,1,6,8H2,2-3H3,(H,15,19)
  • InChiKey: UDKQKYFQEXTYBY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-allyl-2-(1,3-dimethyl-2,4-dioxo-pyrido[2,3-d]pyrimidin-5-yl)sulfanyl-acetamide
  • N-allyl-2-[(1,3-dimethyl-2,4-dioxo-5-pyrido[2,3-d]pyrimidinyl)thio]acetamide
  • N-allyl-2-[(2,4-diketo-1,3-dimethyl-pyrido[2,3-d]pyrimidin-5-yl)thio]acetamide
  • 2-(1,3-dimethyl-2,4-dioxo-pyrido[2,3-d]pyrimidin-5-yl)sulfanyl-N-prop-2-enyl-ethanamide
  • ZINC04942247

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
Schistosoma mansoni aldehyde dehydrogenase 0.0062 0.0679 0.0674
Mycobacterium leprae conserved hypothetical protein 0.0037 0.035 1
Trypanosoma brucei unspecified product 0.003 0.0261 0.281
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0034 0.0309 0.0177
Schistosoma mansoni tar DNA-binding protein 0.0204 0.2516 0.2512
Mycobacterium ulcerans DNA polymerase IV 0.0044 0.0437 0.6179
Loa Loa (eye worm) hypothetical protein 0.0037 0.035 0.0598
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0042 0.042 0.6193
Brugia malayi beta-lactamase family protein 0.0037 0.035 0.053
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0105 0.1236 0.2136
Entamoeba histolytica hypothetical protein 0.0078 0.0875 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0044 0.0437 0.511
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.002 0.0134 0.1981
Brugia malayi ImpB/MucB/SamB family protein 0.0044 0.0437 0.0683
Schistosoma mansoni aldehyde dehydrogenase 0.0062 0.0679 0.0674
Loa Loa (eye worm) hypothetical protein 0.002 0.0134 0.0225
Schistosoma mansoni inositol monophosphatase 0.0038 0.0362 0.0357
Entamoeba histolytica recQ family DNA helicase 0.001 0.0005 0.0058
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0236 0.2932 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0037 0.035 0.0149
Toxoplasma gondii BRCA1 C Terminus (BRCT) domain-containing protein 0.0014 0.0047 0.0685
Schistosoma mansoni hypothetical protein 0.0033 0.0303 0.0298
Mycobacterium tuberculosis Conserved protein 0.0037 0.035 0.0149
Trypanosoma brucei DNA polymerase kappa, putative 0.0044 0.0437 0.511
Echinococcus multilocularis dna polymerase eta 0.0073 0.0811 0.0686
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.035 0.067
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0033 0.0303 0.017
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.035 0.067
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.035 0.067
Echinococcus multilocularis muscleblind protein 1 0.0169 0.2063 0.1955
Trypanosoma brucei DNA polymerase kappa, putative 0.0044 0.0437 0.511
Mycobacterium ulcerans esterase/lipase LipP 0.0037 0.035 0.4798
Entamoeba histolytica hypothetical protein 0.0078 0.0875 1
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.002 0.0134 0.0154
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.035 0.4277
Treponema pallidum ATP-dependent DNA helicase 0.001 0.0005 0.5
Mycobacterium ulcerans beta-lactamase 0.0037 0.035 0.4798
Mycobacterium tuberculosis Probable hydrolase 0.0037 0.035 0.0149
Brugia malayi Latrophilin receptor protein 2 0.0033 0.0303 0.0448
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0038 0.0362 0.414
Brugia malayi hypothetical protein 0.0078 0.0875 0.1449
Schistosoma mansoni inositol monophosphatase 0.0038 0.0362 0.0357
Toxoplasma gondii aldehyde dehydrogenase 0.0062 0.0679 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.035 0.067
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0044 0.0437 0.511
Trypanosoma brucei DNA polymerase IV, putative 0.0044 0.0437 0.511
Trypanosoma cruzi DNA polymerase kappa, putative 0.0044 0.0437 0.5361
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0062 0.0679 0.1404
Loa Loa (eye worm) RecQ helicase 0.002 0.0134 0.0225
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0033 0.0293 0.016
Trypanosoma brucei unspecified product 0.003 0.0261 0.281
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0044 0.0437 0.0432
Loa Loa (eye worm) RNA binding protein 0.0204 0.2516 0.4359
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0044 0.0437 0.0307
Trypanosoma brucei DNA polymerase kappa, putative 0.0044 0.0437 0.511
Trichomonas vaginalis inositol monophosphatase, putative 0.0038 0.0362 0.0709
Mycobacterium ulcerans DNA polymerase IV 0.0044 0.0437 0.6179
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0062 0.0679 0.0552
Loa Loa (eye worm) hypothetical protein 0.0037 0.035 0.0598
Brugia malayi ImpB/MucB/SamB family protein 0.0073 0.0811 0.1337
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0033 0.0303 0.017
Plasmodium vivax DNA repair protein REV1, putative 0.0014 0.0047 0.1329
Echinococcus multilocularis beta LACTamase domain containing family member 0.0037 0.035 0.0218
Mycobacterium tuberculosis Probable lipase LipE 0.0037 0.035 0.0149
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0362 0.413
Loa Loa (eye worm) inositol-1 0.0038 0.0362 0.062
Trypanosoma cruzi DNA damage repair protein, putative 0.0014 0.0047 0.0513
Loa Loa (eye worm) hypothetical protein 0.0169 0.2063 0.3573
Schistosoma mansoni terminal deoxycytidyl transferase 0.0044 0.0437 0.0432
Echinococcus multilocularis microtubule associated protein 2 0.0782 1 1
Schistosoma mansoni tar DNA-binding protein 0.0204 0.2516 0.2512
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.002 0.0134 1
Schistosoma mansoni transcription factor LCR-F1 0.0078 0.0875 0.087
Echinococcus multilocularis dna polymerase kappa 0.0044 0.0437 0.0307
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0362 0.413
Mycobacterium tuberculosis Conserved protein 0.0037 0.035 0.0149
Echinococcus granulosus inositol monophosphatase 1 0.0038 0.0362 0.0231
Leishmania major DNA polymerase kappa, putative 0.0044 0.0437 0.511
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0044 0.0437 0.0942
Echinococcus multilocularis inositol monophosphatase 1 0.0038 0.0362 0.0231
Schistosoma mansoni DNA polymerase IV / kappa 0.0014 0.0047 0.0041
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0078 0.0875 0.0751
Loa Loa (eye worm) hypothetical protein 0.0037 0.035 0.0598
Trypanosoma brucei DNA polymerase IV, putative 0.0044 0.0437 0.511
Schistosoma mansoni hypothetical protein 0.0033 0.0303 0.0298
Trypanosoma cruzi DNA damage repair protein, putative 0.0014 0.0047 0.0513
Echinococcus granulosus muscleblind protein 0.0169 0.2063 0.1955
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0044 0.0437 0.075
Onchocerca volvulus 0.0269 0.3348 0.5569
Entamoeba histolytica recQ family helicase, putative 0.002 0.0134 0.1537
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0033 0.0303 0.0448
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0033 0.0303 0.017
Trypanosoma cruzi hypothetical protein, conserved 0.0014 0.0047 0.0513
Loa Loa (eye worm) hypothetical protein 0.0034 0.0309 0.0527
Loa Loa (eye worm) hypothetical protein 0.001 0.0005 0.00000000018881
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0309 0.0304
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0033 0.0303 0.017
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0037 0.035 0.0149
Trypanosoma cruzi hypothetical protein, conserved 0.0014 0.0047 0.0513
Mycobacterium tuberculosis Conserved hypothetical protein 0.0044 0.0437 0.0482
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0037 0.035 0.053
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0105 0.1236 0.2079
Trypanosoma brucei DNA polymerase kappa, putative 0.0044 0.0437 0.511
Trichomonas vaginalis esterase, putative 0.0037 0.035 0.067
Mycobacterium leprae Probable lipase LipE 0.0037 0.035 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.035 0.0598
Trypanosoma brucei unspecified product 0.0044 0.0437 0.511
Schistosoma mansoni tar DNA-binding protein 0.0204 0.2516 0.2512
Trypanosoma brucei DNA polymerase kappa, putative 0.0044 0.0437 0.511
Echinococcus granulosus tar DNA binding protein 0.0204 0.2516 0.2414
Loa Loa (eye worm) hypothetical protein 0.0037 0.035 0.0598
Entamoeba histolytica deoxycytidyl transferase, putative 0.0044 0.0437 0.4997
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0038 0.0362 0.4994
Loa Loa (eye worm) latrophilin receptor protein 2 0.0033 0.0303 0.0516
Trypanosoma brucei DNA polymerase kappa, putative 0.0044 0.0437 0.511
Trypanosoma brucei DNA polymerase kappa, putative 0.0044 0.0437 0.511
Mycobacterium tuberculosis Probable esterase LipL 0.0037 0.035 0.0149
Trichomonas vaginalis set domain proteins, putative 0.0269 0.3348 1
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0044 0.0437 0.0482
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.002 0.0134 0.115
Brugia malayi TAR-binding protein 0.0204 0.2516 0.4318
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.035 0.0345
Schistosoma mansoni DNA helicase recq1 0.002 0.0134 0.0129
Onchocerca volvulus 0.0037 0.035 0.0075
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0014 0.0047 0.0685
Echinococcus granulosus beta LACTamase domain containing family member 0.0037 0.035 0.0218
Loa Loa (eye worm) hypothetical protein 0.0169 0.2063 0.3573
Schistosoma mansoni tar DNA-binding protein 0.0204 0.2516 0.2512
Trypanosoma brucei DNA polymerase kappa, putative 0.003 0.0261 0.281
Loa Loa (eye worm) hypothetical protein 0.0455 0.5766 1
Brugia malayi Inositol-1 0.0038 0.0362 0.0552
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0236 0.2926 0.507
Loa Loa (eye worm) TAR-binding protein 0.0204 0.2516 0.4359
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.0679 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0037 0.035 0.4798
Trypanosoma cruzi DNA polymerase eta, putative 0.0073 0.0811 1
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.001 0.0005 0.0075
Mycobacterium ulcerans lipase LipD 0.0037 0.035 0.4798
Brugia malayi RNA binding protein 0.0204 0.2516 0.4318
Echinococcus granulosus dna polymerase eta 0.0073 0.0811 0.0686
Trypanosoma brucei DNA polymerase IV, putative 0.0044 0.0437 0.511
Entamoeba histolytica hypothetical protein 0.0078 0.0875 1
Loa Loa (eye worm) hypothetical protein 0.0073 0.0811 0.1399
Trypanosoma cruzi DNA polymerase kappa, putative 0.0044 0.0437 0.5361
Mycobacterium tuberculosis Conserved protein 0.0037 0.035 0.0149
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0038 0.0362 0.5
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0362 0.4431
Echinococcus multilocularis tar DNA binding protein 0.0204 0.2516 0.2414
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0309 0.0304
Echinococcus multilocularis GPCR, family 2 0.0033 0.0303 0.017
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0038 0.0362 0.0709
Schistosoma mansoni hypothetical protein 0.0033 0.0303 0.0298
Giardia lamblia DINP protein human, muc B family 0.0044 0.0437 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0062 0.0679 0.0552
Loa Loa (eye worm) hypothetical protein 0.0037 0.035 0.0598
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.001 0.0005 0.0146
Brugia malayi latrophilin 2 splice variant baaae 0.0072 0.0804 0.1324
Trypanosoma brucei hypothetical protein, conserved 0.0037 0.035 0.3968
Schistosoma mansoni DNA helicase recq5 0.002 0.0134 0.0129
Loa Loa (eye worm) hypothetical protein 0.0105 0.1236 0.2136
Echinococcus granulosus histone lysine methyltransferase setb 0.0034 0.0309 0.0177
Schistosoma mansoni microtubule-associated protein tau 0.0782 1 1
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.002 0.0134 0.115
Schistosoma mansoni hypothetical protein 0.0033 0.0303 0.0298
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0038 0.0362 0.5337
Brugia malayi beta-lactamase 0.0037 0.035 0.053
Onchocerca volvulus 0.0455 0.5766 1
Schistosoma mansoni hypothetical protein 0.0072 0.0804 0.0799
Trypanosoma cruzi DNA polymerase kappa, putative 0.0044 0.0437 0.5361
Schistosoma mansoni hypothetical protein 0.0078 0.0875 0.087
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.035 0.0345
Schistosoma mansoni tar DNA-binding protein 0.0204 0.2516 0.2512
Brugia malayi beta-lactamase family protein 0.0037 0.035 0.053
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0034 0.0309 0.0304
Schistosoma mansoni DNA polymerase eta 0.0073 0.0811 0.0806
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0037 0.035 0.0598
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.035 0.067
Echinococcus granulosus dna polymerase kappa 0.0044 0.0437 0.0307
Loa Loa (eye worm) runx1 0.0057 0.061 0.105
Leishmania major hypothetical protein, conserved 0.0037 0.035 0.3968
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0204 0.2516 0.4359
Leishmania major DNA polymerase eta, putative 0.0073 0.0811 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.0804 0.1386
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0037 0.035 0.0149
Plasmodium vivax SET domain protein, putative 0.0034 0.0309 0.8827
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0044 0.0437 0.0307
Brugia malayi Muscleblind-like protein 0.0169 0.2063 0.3526
Trypanosoma brucei DNA polymerase kappa, putative 0.0044 0.0437 0.511
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.002 0.0134 0.1605
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0034 0.0309 0.455
Brugia malayi hypothetical protein 0.0455 0.5766 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0078 0.0875 0.0751
Loa Loa (eye worm) hypothetical protein 0.0014 0.0047 0.0072
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.035 0.4277
Giardia lamblia Sgs1 DNA helicase, putative 0.002 0.0134 0.2251
Mycobacterium tuberculosis Probable lipase LipD 0.0037 0.035 0.0149
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0062 0.0679 0.827
Loa Loa (eye worm) hypothetical protein 0.0455 0.5766 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0105 0.1236 0.2079
Trichomonas vaginalis DNA polymerase eta, putative 0.0044 0.0437 0.0942
Trypanosoma brucei DNA polymerase kappa, putative 0.003 0.0261 0.281
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0362 0.4431
Plasmodium vivax hypothetical protein, conserved 0.0037 0.035 1
Trypanosoma brucei DNA polymerase eta, putative 0.0073 0.0811 1
Mycobacterium ulcerans hypothetical protein 0.0037 0.035 0.4798
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.002 0.0134 0.1981
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.0679 1
Entamoeba histolytica hypothetical protein 0.0078 0.0875 1
Echinococcus granulosus GPCR family 2 0.0033 0.0303 0.017
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.002 0.0134 0.0154
Loa Loa (eye worm) beta-lactamase 0.0037 0.035 0.0598
Onchocerca volvulus 0.0037 0.035 0.0075
Trypanosoma cruzi DNA polymerase kappa, putative 0.0044 0.0437 0.5361
Echinococcus multilocularis Protein lozenge 0.0057 0.061 0.0482
Loa Loa (eye worm) ATP-dependent DNA helicase 0.002 0.0134 0.0225
Trypanosoma brucei DNA polymerase kappa, putative 0.003 0.0261 0.281
Schistosoma mansoni lozenge 0.0057 0.061 0.0605
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.002 0.0134 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0044 0.0437 0.511
Leishmania major DNA polymerase eta, putative 0.0042 0.042 0.489
Brugia malayi Bloom's syndrome protein homolog 0.002 0.0134 0.0154
Onchocerca volvulus 0.0037 0.035 0.0075
Echinococcus multilocularis muscleblind protein 0.0169 0.2063 0.1955
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0309 0.0304
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0038 0.0362 0.0709
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0034 0.0309 0.0177
Brugia malayi Pre-SET motif family protein 0.0034 0.0309 0.0459
Loa Loa (eye worm) hypothetical protein 0.0033 0.0303 0.0516
Brugia malayi RNA recognition motif domain containing protein 0.0204 0.2516 0.4318
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.0679 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0042 0.042 0.5153
Brugia malayi Pre-SET motif family protein 0.0236 0.2926 0.5034
Toxoplasma gondii ABC1 family protein 0.0037 0.035 0.5154

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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