Detailed information for compound 1444741

Basic information

Technical information
  • TDR Targets ID: 1444741
  • Name: 4-[5-methoxycarbonyl-6-methyl-4-(6-nitro-1,3- benzodioxol-5-yl)-2-oxo-3,4-dihydropyrimidin- 1-yl]butanoic acid
  • MW: 421.358 | Formula: C18H19N3O9
  • H donors: 2 H acceptors: 6 LogP: 0.69 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)C1=C(C)N(CCCC(=O)O)C(=O)NC1c1cc2OCOc2cc1[N+](=O)[O-]
  • InChi: 1S/C18H19N3O9/c1-9-15(17(24)28-2)16(19-18(25)20(9)5-3-4-14(22)23)10-6-12-13(30-8-29-12)7-11(10)21(26)27/h6-7,16H,3-5,8H2,1-2H3,(H,19,25)(H,22,23)
  • InChiKey: YBPGPXLGJYHWOT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[5-carbomethoxy-2-keto-6-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-3,4-dihydropyrimidin-1-yl]butyric acid
  • UPCMLD00WMAL2-109
  • SMR000388878
  • MLS000563679
  • SDCCGMLS-0091531.P001
  • CMLD4_000070

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens flap structure-specific endonuclease 1 Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Homo sapiens tyrosyl-DNA phosphodiesterase 1 Starlite/ChEMBL No references
Giardia intestinalis Putative fructose-1,6-bisphosphate aldolase Starlite/ChEMBL No references
Homo sapiens l(3)mbt-like 1 (Drosophila) Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed), beta Starlite/ChEMBL No references
Homo sapiens peptidylprolyl cis/trans isomerase, NIMA-interacting 1 Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4E Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania major flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Echinococcus granulosus flap endonuclease 1 Get druggable targets OG5_127472 All targets in OG5_127472
Treponema pallidum fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Candida albicans peptidylprolyl cis/trans isomerase isolated by functional complementation of S. cerevisiae ESS1 (YJR017C) which interacts with t Get druggable targets OG5_128367 All targets in OG5_128367
Trichomonas vaginalis rotamase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Plasmodium knowlesi flap endonuclease 1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Leishmania braziliensis flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Schistosoma japonicum ko:K04799 flap endonuclease-1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Plasmodium berghei flap endonuclease 1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Trypanosoma brucei gambiense peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Theileria parva flap endonuclease 1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Entamoeba histolytica Flap nuclease, putative Get druggable targets OG5_127472 All targets in OG5_127472
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein Get druggable targets OG5_129037 All targets in OG5_129037
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Echinococcus multilocularis endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
Schistosoma mansoni tyrosyl-DNA phosphodiesterase Get druggable targets OG5_129037 All targets in OG5_129037
Toxoplasma gondii flap structure-specific endonuclease 1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Babesia bovis XPG N-terminal domain and XPG I-region domain containing protein Get druggable targets OG5_127472 All targets in OG5_127472
Trichomonas vaginalis flap endonuclease-1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Trypanosoma congolense mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Giardia lamblia Fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Schistosoma japonicum Lethal(3)malignant brain tumor-like 3 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Mycobacterium tuberculosis Conserved hypothetical protein Get druggable targets OG5_130965 All targets in OG5_130965
Echinococcus multilocularis expressed protein Get druggable targets OG5_128367 All targets in OG5_128367
Trypanosoma congolense tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma japonicum ko:K09578 peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, putative Get druggable targets OG5_128367 All targets in OG5_128367
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Theileria parva peptidyl-prolyl cis-trans isomerase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Leishmania braziliensis peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Leishmania infantum flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Cryptosporidium parvum flap endonuclease 1 Get druggable targets OG5_127472 All targets in OG5_127472
Leishmania donovani mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Trypanosoma brucei gambiense mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania major peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Schistosoma mansoni hypothetical protein Get druggable targets OG5_130415 All targets in OG5_130415
Giardia lamblia Flap structure-specific endonuclease Get druggable targets OG5_127472 All targets in OG5_127472
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Leishmania infantum peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Leishmania major tyrosyl-DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Trypanosoma congolense peptidyl-prolyl cis-trans isomerase/rotamase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Cryptosporidium parvum tyrosyl-DNA phodphodiesterase 1 (tdp1) Get druggable targets OG5_129037 All targets in OG5_129037
Babesia bovis peptidyl-prolyl cis-trans isomerase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 Get druggable targets OG5_128367 All targets in OG5_128367
Plasmodium falciparum flap endonuclease 1 Get druggable targets OG5_127472 All targets in OG5_127472
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Neospora caninum peptidyl-prolyl cis-trans isomerase NIMA- interacting 1, putative Get druggable targets OG5_128367 All targets in OG5_128367
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus granulosus endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
Echinococcus granulosus expressed protein Get druggable targets OG5_128367 All targets in OG5_128367
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase Get druggable targets OG5_128367 All targets in OG5_128367
Mycobacterium ulcerans hypothetical protein Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Echinococcus multilocularis flap endonuclease 1 Get druggable targets OG5_127472 All targets in OG5_127472
Leishmania major mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Echinococcus multilocularis transcription factor Dp 1 Get druggable targets OG5_129037 All targets in OG5_129037
Leishmania donovani tyrosyl-DNA phosphodiesterase-like protein Get druggable targets OG5_129037 All targets in OG5_129037
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Plasmodium yoelii flap endonuclease-1-related Get druggable targets OG5_127472 All targets in OG5_127472
Leishmania donovani flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Echinococcus granulosus transcription factor Dp 1 Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma japonicum Lethal(3)malignant brain tumor-like 4 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Leishmania infantum mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma congolense flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Leishmania donovani peptidyl-prolyl cis-trans isomerase/rotamase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Brugia malayi Flap endonuclease-1 Get druggable targets OG5_127472 All targets in OG5_127472
Trypanosoma brucei gambiense flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Schistosoma mansoni rotamase Get druggable targets OG5_128367 All targets in OG5_128367
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase Get druggable targets OG5_128367 All targets in OG5_128367
Leishmania mexicana peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Leishmania braziliensis tyrosyl-DNA phosphodiesterase, putative;with=GeneDB:LinJ33_V3.3210 Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma japonicum ko:K01113 phosphodiesterase/alkaline phosphatase D [EC3.1.4.1], putative Get druggable targets OG5_129037 All targets in OG5_129037
Leishmania mexicana mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_128367 All targets in OG5_128367
Toxoplasma gondii peptidylprolyl isomerase Get druggable targets OG5_128367 All targets in OG5_128367
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_129037 All targets in OG5_129037
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase Get druggable targets OG5_128367 All targets in OG5_128367
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Leishmania braziliensis mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Loa Loa (eye worm) flap endonuclease-1 Get druggable targets OG5_127472 All targets in OG5_127472
Trypanosoma brucei gambiense tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Plasmodium vivax flap endonuclease 1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania infantum tyrosyl-DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Cryptosporidium hominis flap endonuclease 1 Get druggable targets OG5_127472 All targets in OG5_127472
Trichomonas vaginalis rotamase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma mansoni flap endonuclease-1 Get druggable targets OG5_127472 All targets in OG5_127472
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Candida albicans peptidylprolyl cis/trans isomerase isolated by functional complementation of S. cerevisiae ESS1 (YJR017C) which interacts with t Get druggable targets OG5_128367 All targets in OG5_128367
Neospora caninum flap endonuclease-1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase Get druggable targets OG5_129037 All targets in OG5_129037
Leishmania mexicana tyrosyl-DNA phosphodiesterase-like protein Get druggable targets OG5_129037 All targets in OG5_129037
Trypanosoma brucei mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania mexicana flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium ulcerans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 26.9 %
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Leishmania major peptidyl-prolyl cis-trans isomerase, putative peptidylprolyl cis/trans isomerase, NIMA-interacting 1 163 aa 133 aa 27.8 %
Trypanosoma brucei exonuclease, putative flap structure-specific endonuclease 1 380 aa 322 aa 24.5 %
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.8 %
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative polymerase (DNA directed), beta 335 aa 303 aa 32.3 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.018 0.3891 0.3891
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0058 0.0849 0.0862
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.8165 1
Onchocerca volvulus 0.0286 0.6508 1
Brugia malayi Muscleblind-like protein 0.018 0.3891 0.3891
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0039 0.0398 0.0398
Onchocerca volvulus 0.0086 0.1559 0.2008
Schistosoma mansoni elongation of fatty acids protein 1 0.0086 0.1559 0.1926
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.1397 0.1397
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0039 0.0398 0.0398
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0031 0.0202 0.0202
Treponema pallidum fructose-bisphosphate aldolase 0.0353 0.8165 0.5
Echinococcus granulosus flap endonuclease 1 0.0031 0.0202 0.04
Loa Loa (eye worm) hypothetical protein 0.0086 0.1559 0.1559
Trypanosoma cruzi fatty acid elongase, putative 0.0086 0.1559 0.1559
Leishmania major fatty acid elongase, putative 0.0427 1 1
Leishmania major fatty acid elongase, putative 0.0427 1 1
Plasmodium falciparum long chain fatty acid elongation enzyme, putative 0.0427 1 1
Brugia malayi Pre-SET motif family protein 0.0036 0.0316 0.0316
Echinococcus multilocularis muscleblind protein 1 0.018 0.3891 0.7712
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.1397 0.1397
Loa Loa (eye worm) hypothetical protein 0.018 0.3891 0.3891
Schistosoma mansoni jumonji/arid domain-containing protein 0.0071 0.1182 0.146
Leishmania major fatty acid elongase, putative 0.0086 0.1559 0.1559
Trypanosoma cruzi fatty acid elongase, putative 0.0427 1 1
Loa Loa (eye worm) fatty acid elongation protein 3 0.0086 0.1559 0.1559
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0316 0.0626
Echinococcus multilocularis flap endonuclease 1 0.0031 0.0202 0.04
Onchocerca volvulus Elongation of very long chain fatty acids protein homolog 0.0086 0.1559 0.2008
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0051 0.0693 0.0693
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0051 0.0693 0.0693
Leishmania major fatty acid elongase, putative 0.0427 1 1
Echinococcus granulosus histone acetyltransferase MYST2 0.0066 0.1047 0.2075
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0058 0.0849 0.1049
Brugia malayi GNS1/SUR4 family protein 0.0427 1 1
Leishmania major fatty acid elongase, putative 0.0086 0.1559 0.1559
Brugia malayi jmjC domain containing protein 0.0071 0.1182 0.1182
Onchocerca volvulus Elongation of very long chain fatty acids protein homolog 0.0086 0.1559 0.2008
Brugia malayi mbt repeat family protein 0.0058 0.0849 0.0849
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0071 0.1182 0.2343
Schistosoma mansoni hypothetical protein 0.035 0.8096 1
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.1397 0.1397
Plasmodium falciparum long chain polyunsaturated fatty acid elongation enzyme, putative 0.0086 0.1559 0.1385
Brugia malayi fatty acid elongation protein 3 0.0086 0.1559 0.1559
Leishmania major fatty acid elongase, putative 0.0086 0.1559 0.1559
Trypanosoma brucei elongation of very long chain fatty acids protein, putative 0.0086 0.1559 0.1559
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0365 0.8456 0.8456
Echinococcus multilocularis transcription factor Dp 1 0.0046 0.0566 0.1121
Trichomonas vaginalis conserved hypothetical protein 0.004 0.0422 0.0517
Echinococcus multilocularis muscleblind protein 0.018 0.3891 0.7712
Echinococcus granulosus SAM and MBT domain containing protein 0.0058 0.0849 0.1684
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.008 0.1397 0.277
Leishmania major fatty acid elongase, putative 0.0086 0.1559 0.1559
Loa Loa (eye worm) GNS1/SUR4 family protein 0.0086 0.1559 0.1559
Brugia malayi fatty acid elongation protein 3 0.0086 0.1559 0.1559
Trichomonas vaginalis set domain proteins, putative 0.0286 0.6508 0.7971
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0051 0.0693 0.0693
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0316 0.039
Leishmania major fatty acid elongase, putative 0.0086 0.1559 0.1559
Leishmania major long chain polyunsaturated fatty acid elongation enzyme-like protein 0.0086 0.1559 0.1559
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0316 0.0626
Echinococcus multilocularis elongation of very long chain fatty acids 0.0086 0.1559 0.309
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.008 0.1397 0.1397
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0051 0.0693 0.0693
Toxoplasma gondii peptidylprolyl isomerase 0.0039 0.0398 0.0201
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0172 0.3693 0.8833
Giardia lamblia Fructose-bisphosphate aldolase 0.0353 0.8165 1
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.008 0.1397 0.1397
Echinococcus multilocularis elongation of very long chain fatty acids 0.0086 0.1559 0.309
Schistosoma mansoni elongation of fatty acids protein 1 0.0086 0.1559 0.1926
Echinococcus granulosus lysine specific demethylase 5A 0.0071 0.1182 0.2343
Echinococcus multilocularis expressed protein 0.004 0.0422 0.0836
Brugia malayi fatty acid elongation protein 3 0.0086 0.1559 0.1559
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.8165 1
Echinococcus granulosus transcription factor Dp 1 0.0046 0.0566 0.1121
Trypanosoma cruzi fatty acid elongase, putative 0.0427 1 1
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0031 0.0202 0.0202
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.008 0.1397 0.1726
Schistosoma mansoni jumonji domain containing protein 0.0071 0.1182 0.146
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0316 0.039
Brugia malayi Flap endonuclease-1 0.0031 0.0202 0.0202
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0173 0.3698 0.3698
Trypanosoma cruzi fatty acid elongase, putative 0.0086 0.1559 0.1559
Loa Loa (eye worm) mbt repeat family protein 0.0058 0.0849 0.0849
Plasmodium vivax elongation of very long chain fatty acids protein 3, putative 0.0086 0.1559 0.1385
Trypanosoma brucei Fatty acid elongase 0.0086 0.1559 0.1559
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.008 0.1397 0.1397
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0071 0.1182 0.2343
Loa Loa (eye worm) ELO-9 protein 0.0086 0.1559 0.1559
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative 0.0039 0.0398 0.0398
Echinococcus multilocularis histone acetyltransferase MYST2 0.0066 0.1047 0.2075
Onchocerca volvulus 0.0058 0.0849 0.0862
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative 0.0039 0.0398 0.0488
Onchocerca volvulus Elongation of very long chain fatty acids protein 5 homolog 0.0086 0.1559 0.2008
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.008 0.1397 0.1711
Loa Loa (eye worm) hypothetical protein 0.0066 0.1047 0.1047
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0365 0.8456 0.8456
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.008 0.1397 0.277
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0316 0.0116
Loa Loa (eye worm) fatty acid elongation protein 3 0.0086 0.1559 0.1559
Brugia malayi GNS1/SUR4 family protein 0.0086 0.1559 0.1559
Brugia malayi mbt repeat family protein 0.0058 0.0849 0.0849
Schistosoma mansoni jumonji/arid domain-containing protein 0.0071 0.1182 0.146
Trichomonas vaginalis rotamase, putative 0.0039 0.0398 0.0488
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0066 0.1047 0.2075
Leishmania major fatty acid elongase, putative 0.0086 0.1559 0.1559
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0227 0.5045 1
Toxoplasma gondii GNS1/SUR4 family protein 0.0427 1 1
Plasmodium vivax GNS1/SUR4 domain containing protein 0.0427 1 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.8165 1
Plasmodium vivax SET domain protein, putative 0.0036 0.0316 0.0116
Loa Loa (eye worm) hypothetical protein 0.0058 0.0849 0.0849
Echinococcus granulosus polycomb protein SCMH1 0.0058 0.0849 0.1684
Loa Loa (eye worm) jmjC domain-containing protein 0.0071 0.1182 0.1182
Leishmania major fatty acid elongase, putative 0.0086 0.1559 0.1559
Trypanosoma cruzi fatty acid elongase, putative 0.0086 0.1559 0.1559
Echinococcus granulosus elongation of very long chain fatty acids 0.0086 0.1559 0.309
Entamoeba histolytica Flap nuclease, putative 0.0031 0.0202 0.0247
Schistosoma mansoni flap endonuclease-1 0.0028 0.0127 0.0157
Onchocerca volvulus 0.0086 0.1559 0.2008
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0316 0.039
Trypanosoma cruzi fatty acid elongase, putative 0.0427 1 1
Toxoplasma gondii hypothetical protein 0.0059 0.088 0.0692
Giardia lamblia Flap structure-specific endonuclease 0.0031 0.0202 0.0247
Schistosoma mansoni fatty acid acyl transferase-related 0.0086 0.1559 0.1926
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.8165 1
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 0.004 0.0422 0.0422
Loa Loa (eye worm) flap endonuclease-1 0.0031 0.0202 0.0202
Echinococcus multilocularis lysine specific demethylase 5A 0.0071 0.1182 0.2343
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.5648 0.5648
Loa Loa (eye worm) fatty acid elongation protein 3 0.0086 0.1559 0.1559
Trypanosoma cruzi fatty acid elongase, putative 0.0086 0.1559 0.1559
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.8165 1
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0066 0.1047 0.2075
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0173 0.3698 0.3698
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0316 0.039
Loa Loa (eye worm) MBCTL1 0.0066 0.1047 0.1047
Leishmania major peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative 0.0039 0.0398 0.0398
Brugia malayi jmjC domain containing protein 0.0071 0.1182 0.1182
Leishmania major fatty acid elongase, putative 0.0086 0.1559 0.1559
Plasmodium falciparum fatty acid elongation protein, GNS1/SUR4 family, putative 0.0427 1 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.8165 1
Loa Loa (eye worm) fatty acid elongation protein 3 0.0427 1 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0316 0.0316
Trypanosoma cruzi fatty acid elongase, putative 0.0086 0.1559 0.1559
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0062 0.0971 0.0971
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0066 0.1047 0.1047
Schistosoma mansoni rotamase 0.004 0.0422 0.0521
Trichomonas vaginalis flap endonuclease-1, putative 0.0031 0.0202 0.0247
Schistosoma mansoni elongation of fatty acids protein 1 0.0086 0.1559 0.1926
Echinococcus granulosus expressed protein 0.004 0.0422 0.0836
Trichomonas vaginalis rotamase, putative 0.004 0.0422 0.0517
Echinococcus granulosus elongation of very long chain fatty acids 0.0086 0.1559 0.309
Toxoplasma gondii integral membrane protein, GNS1/SUR4 family protein, putative 0.0427 1 1
Toxoplasma gondii fatty acid elongase 0.0086 0.1559 0.1385
Leishmania major fatty acid elongase, putative 0.0086 0.1559 0.1559
Schistosoma mansoni myelin transcription factor 1 myt1 0.0066 0.1047 0.1293
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0172 0.3693 0.5
Brugia malayi Pre-SET motif family protein 0.0251 0.5648 0.5648
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0172 0.3693 0.8833
Trypanosoma brucei Fatty acid elongase 0.0086 0.1559 0.1559
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0173 0.3698 0.3698
Loa Loa (eye worm) GNS1/SUR4 family protein 0.0427 1 1
Trypanosoma brucei Fatty acid elongase 0.0427 1 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.8165 1
Brugia malayi Hypothetical 34.1 kDa protein C40H1.4 in chromosome III 0.0086 0.1559 0.1559
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase 0.004 0.0422 0.0422
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.8165 1
Schistosoma mansoni sex comb on midleg homolog 0.0058 0.0849 0.1049
Trypanosoma cruzi fatty acid elongase, putative 0.0086 0.1559 0.1559
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.8165 1
Schistosoma mansoni sex comb on midleg homolog 0.0058 0.0849 0.1049
Leishmania major mitochondrial DNA polymerase beta 0.0365 0.8456 0.8456
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0365 0.8456 0.8456
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0283 0.0561
Plasmodium vivax long chain polyunsaturated fatty acid elongation enzyme, putative 0.0086 0.1559 0.1385
Brugia malayi fatty acid elongation protein 3 0.0086 0.1559 0.1559
Trypanosoma cruzi fatty acid elongase, putative 0.0427 1 1
Leishmania major fatty acid elongase, putative 0.0086 0.1559 0.1559
Echinococcus multilocularis polycomb protein SCMH1 0.0058 0.0849 0.1684
Mycobacterium tuberculosis Conserved hypothetical protein 0.0192 0.4181 1
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0031 0.0202 0.0202
Echinococcus granulosus muscleblind protein 0.018 0.3891 0.7712
Echinococcus multilocularis SAM and MBT domain containing protein 0.0058 0.0849 0.1684
Mycobacterium ulcerans hypothetical protein 0.0192 0.4181 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0316 0.0626
Schistosoma mansoni elongation of fatty acids protein 1 0.0086 0.1559 0.1926
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0227 0.5045 1
Trypanosoma brucei Long chain fatty acyl elongase 0.0086 0.1559 0.1559
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.8165 1

Activities

Activity type Activity value Assay description Source Reference
Potency (binding) = 1.5849 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Tyrosyl-DNA Phosphodiesterase (TDP1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 7.0795 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] ChEMBL. No reference
Potency (functional) 7.9433 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (binding) 12.5893 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 14.0919 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ] ChEMBL. No reference
Potency (functional) 14.1254 uM PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Human Flap endonuclease 1 (FEN1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488813] ChEMBL. No reference
Potency (functional) 14.1254 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.8876 uM PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1: Hit Validation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID485292] ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 25.1189 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1). (Class of assay: confirmatory) [Related pubchem assays: 594 (Rhodamine region spectral profiling screen), 593 (Fluorescein region spectral profiling screen), 2367 (Probe Development Summary for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1)), 2353 (qHTS Validation Assay for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1))] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) = 37.6505 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Kappa. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588638] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: Confirmation Assay for Inhibitors of Tyrosyl-DNA Phosphodiesterase (TDP1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID485290, AID485312, AID504464, AID504474] 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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