Detailed information for compound 1455385

Basic information

Technical information
  • TDR Targets ID: 1455385
  • Name: 4-[[(2-morpholin-4-yl-3,4-dioxo-1-cyclobuteny l)amino]methyl]-N-(1,2,3,4-tetrahydronaphthal en-1-yl)benzamide
  • MW: 445.51 | Formula: C26H27N3O4
  • H donors: 2 H acceptors: 3 LogP: 2.77 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1C(=O)C(=C1N1CCOCC1)NCc1ccc(cc1)C(=O)NC1CCCc2c1cccc2
  • InChi: 1S/C26H27N3O4/c30-24-22(23(25(24)31)29-12-14-33-15-13-29)27-16-17-8-10-19(11-9-17)26(32)28-21-7-3-5-18-4-1-2-6-20(18)21/h1-2,4,6,8-11,21,27H,3,5,7,12-16H2,(H,28,32)
  • InChiKey: TUUNLUNWLLCMGW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[[(2-morpholino-3,4-dioxo-1-cyclobutenyl)amino]methyl]-N-tetralin-1-yl-benzamide
  • 4-[[(2-morpholino-3,4-dioxo-1-cyclobutenyl)amino]methyl]-N-(1-tetralinyl)benzamide
  • 4-[[(3,4-diketo-2-morpholino-1-cyclobutenyl)amino]methyl]-N-tetralin-1-yl-benzamide
  • MLS000119682
  • SMR000096603

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed), beta Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania infantum mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma congolense mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania braziliensis mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma brucei gambiense mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Mycobacterium ulcerans hypothetical protein Get druggable targets OG5_130965 All targets in OG5_130965
Mycobacterium tuberculosis Conserved hypothetical protein Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania major mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma brucei mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania donovani mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania mexicana mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative polymerase (DNA directed), beta 335 aa 303 aa 32.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0365 0.1105 0.3647
Schistosoma mansoni DNA polymerase eta 0.0047 0.0103 0.0084
Leishmania major phosphopantetheinyl transferase-like protein 0.0024 0.0033 0.0123
Brugia malayi jmjC domain containing protein 0.0042 0.0089 0.008
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0049 0.0111 0.0106
Onchocerca volvulus 0.0087 0.0229 0.2224
Echinococcus granulosus zinc finger protein 0.0043 0.0092 0.0087
Schistosoma mansoni hypothetical protein 0.0029 0.0047 0.0028
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.002 0.0178
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0073 0.0186 0.0181
Loa Loa (eye worm) glutaminase 0.0285 0.0853 0.0846
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase 0.0068 0.017 0.0162
Echinococcus granulosus jumonji domain containing protein 0.004 0.0083 0.0078
Schistosoma mansoni bcl-2 homologous antagonist/killer (bak) 0.0086 0.0228 0.0209
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative 0.0066 0.0165 0.1494
Trichomonas vaginalis set domain proteins, putative 0.0236 0.0699 0.7597
Loa Loa (eye worm) hypothetical protein 0.0018 0.0012 0.0003
Loa Loa (eye worm) hypothetical protein 0.0047 0.0103 0.0095
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0017 0.0008 0.0003
Echinococcus multilocularis cpg binding protein 0.0066 0.0163 0.0157
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.002 0.0178
Loa Loa (eye worm) glutaminase 2 0.0285 0.0853 0.0846
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.002 0.0178
Brugia malayi STAT protein, DNA binding domain containing protein 0.0154 0.0443 0.0434
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0087 0.0229 0.021
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.003 0.0222
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0965 0.2996 1
Leishmania major mitochondrial DNA polymerase beta 0.0365 0.1105 1
Mycobacterium leprae conserved hypothetical protein 0.0024 0.0033 0.0068
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0047 0.0861
Brugia malayi Bromodomain containing protein 0.0156 0.0447 0.0438
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.003 0.012
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.003 0.0099
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.002 0.0178
Echinococcus granulosus expressed protein 0.0068 0.017 0.0165
Brugia malayi Apoptosis regulator proteins, Bcl-2 family protein 0.0086 0.0228 0.0219
Schistosoma mansoni hypothetical protein 0.0042 0.0088 0.0069
Loa Loa (eye worm) bromodomain containing protein 0.0036 0.0069 0.0061
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0304 0.0914 1
Echinococcus multilocularis EGFP:Bcl2 fusion protein 0.0086 0.0228 0.0223
Echinococcus multilocularis Bcl 2 ous antagonist:killer 0.0086 0.0228 0.0223
Loa Loa (eye worm) STAT protein 0.0154 0.0443 0.0435
Loa Loa (eye worm) hypothetical protein 0.0023 0.003 0.0022
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0024 0.0033 1
Brugia malayi CXXC zinc finger family protein 0.0058 0.014 0.0131
Loa Loa (eye worm) hypothetical protein 0.0066 0.0163 0.0154
Schistosoma mansoni hypothetical protein 0.0086 0.0228 0.0209
Echinococcus granulosus lysine specific demethylase 5A 0.0042 0.0089 0.0084
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.003 0.0222
Schistosoma mansoni jumonji/arid domain-containing protein 0.0042 0.0089 0.007
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.002 0.002 0.0011
Loa Loa (eye worm) hypothetical protein 0.0018 0.0012 0.0003
Onchocerca volvulus Alhambra homolog 0.0029 0.0047 0.019
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.002 0.0178
Loa Loa (eye worm) hypothetical protein 0.0078 0.0202 0.0194
Schistosoma mansoni rotamase 0.0068 0.017 0.0151
Schistosoma mansoni hypothetical protein 0.0086 0.0228 0.0209
Mycobacterium ulcerans hypothetical protein 0.0023 0.003 0.0222
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0051 0.0118 0.033
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.002 0.002 0.0014
Echinococcus granulosus histone lysine methyltransferase setb 0.0066 0.0163 0.0157
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.002 0.0178
Loa Loa (eye worm) hypothetical protein 0.096 0.2981 0.2979
Brugia malayi ImpB/MucB/SamB family protein 0.0047 0.0103 0.0094
Trypanosoma brucei ISWI complex protein 0.0031 0.0054 0.0491
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0365 0.1105 1
Schistosoma mansoni protein kinase 0.3189 1 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0125 0.035 0.0331
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.002 0.0178
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0965 0.2996 1
Schistosoma mansoni protein kinase 0.3189 1 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.003 0.0222
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0304 0.0914 1
Echinococcus multilocularis peregrin 0.0034 0.0062 0.0057
Mycobacterium ulcerans hypothetical protein 0.0192 0.0561 0.6537
Echinococcus granulosus mitogen activated protein kinase kinase kinase 0.3189 1 1
Trichomonas vaginalis glutaminase, putative 0.0285 0.0853 0.9307
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0304 0.0914 1
Brugia malayi Bromodomain containing protein 0.0078 0.0201 0.0193
Schistosoma mansoni glutaminase 0.0285 0.0853 0.0835
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0173 0.05 0.1614
Loa Loa (eye worm) hypothetical protein 0.3185 0.9985 1
Mycobacterium ulcerans DNA polymerase IV 0.002 0.002 0.0095
Giardia lamblia Fructose-bisphosphate aldolase 0.0304 0.0914 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0012 0.0003
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.0054 0.0048
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.002 0.0178
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0073 0.0186 0.0181
Brugia malayi Bromodomain containing protein 0.0034 0.0062 0.0054
Schistosoma mansoni apoptosis regulator bax 0.0086 0.0228 0.0209
Loa Loa (eye worm) histone methyltransferase 0.0019 0.0017 0.0008
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0017 0.0008 0.0003
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.003 0.012
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0054 0.0034
Onchocerca volvulus 0.0058 0.014 0.123
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0051 0.0118 0.033
Entamoeba histolytica hypothetical protein 0.0024 0.0033 0.015
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0019 0.0017 0.0011
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0024 0.0033 0.5991
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.002 0.0178
Echinococcus granulosus dna polymerase kappa 0.002 0.002 0.0014
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0051 0.0118 0.033
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0149 0.0424 0.7523
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0095 0.0254 0.0249
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0125 0.0349 0.0344
Mycobacterium tuberculosis Conserved hypothetical protein 0.002 0.002 0.0199
Loa Loa (eye worm) STE/STE11/ASK protein kinase 0.0965 0.2996 0.2994
Echinococcus multilocularis zinc finger protein 0.0043 0.0092 0.0087
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.002 0.0011
Loa Loa (eye worm) hypothetical protein 0.0144 0.0409 0.0401
Brugia malayi AMP-binding enzyme family protein 0.0023 0.003 0.0022
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0304 0.0914 1
Brugia malayi Pre-SET motif family protein 0.0207 0.061 0.0601
Loa Loa (eye worm) jmjC domain-containing protein 0.0042 0.0089 0.0081
Onchocerca volvulus 0.0236 0.0699 0.7494
Loa Loa (eye worm) hypothetical protein 0.009 0.024 0.0231
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0095 0.0254 0.0249
Schistosoma mansoni zinc finger protein 0.0031 0.0054 0.0035
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0173 0.05 0.4426
Onchocerca volvulus 0.0307 0.0923 1
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0035 0.0065 0.006
Brugia malayi AMP-binding enzyme family protein 0.0023 0.003 0.0022
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0029 0.0047 0.0028
Trichomonas vaginalis conserved hypothetical protein 0.0068 0.017 0.1681
Loa Loa (eye worm) hypothetical protein 0.0023 0.003 0.0022
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0304 0.0914 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0031 0.0054 0.0034
Schistosoma mansoni cpg binding protein 0.0066 0.0163 0.0143
Loa Loa (eye worm) hypothetical protein 0.0018 0.0012 0.0003
Brugia malayi glutaminase DH11.1 0.0285 0.0853 0.0844
Loa Loa (eye worm) hypothetical protein 0.0023 0.003 0.0022
Mycobacterium ulcerans DNA polymerase IV 0.002 0.002 0.0095
Schistosoma mansoni hypothetical protein 0.0168 0.0485 0.0466
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0066 0.0163 0.0157
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0024 0.0033 0.0387
Brugia malayi Pre-SET motif family protein 0.0031 0.0054 0.0045
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0304 0.0914 1
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0066 0.0165 0.0489
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0149 0.0424 1
Loa Loa (eye worm) hypothetical protein 0.0087 0.0229 0.0221
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.002 0.002 0.0014
Plasmodium vivax SET domain protein, putative 0.0031 0.0054 1
Echinococcus multilocularis dna polymerase eta 0.0047 0.0103 0.0098
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.002 0.0178
Schistosoma mansoni hypothetical protein 0.0086 0.0228 0.0209
Schistosoma mansoni cpg binding protein 0.0066 0.0163 0.0143
Entamoeba histolytica acyl-coA synthetase, putative 0.0023 0.003 0.012
Trypanosoma cruzi DNA polymerase eta, putative 0.0033 0.006 0.0134
Schistosoma mansoni hypothetical protein 0.0031 0.0054 0.0035
Brugia malayi F/Y-rich N-terminus family protein 0.0032 0.0058 0.0049
Echinococcus granulosus L aminoadipate semialdehyde 0.0087 0.0229 0.0224
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0025 0.0035 0.0016
Schistosoma mansoni zinc finger protein 0.0043 0.0092 0.0073
Echinococcus multilocularis jumonji domain containing protein 0.004 0.0083 0.0078
Loa Loa (eye worm) hypothetical protein 0.0086 0.0228 0.022
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.003 0.0393
Brugia malayi AMP-binding enzyme family protein 0.0023 0.003 0.0022
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.003 0.0222
Echinococcus granulosus geminin 0.0168 0.0485 0.048
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0024 0.0033 0.0254
Toxoplasma gondii peptidylprolyl isomerase 0.0066 0.0165 0.4763
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.0021 0.0021 0.0193
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0066 0.0163 0.0143
Schistosoma mansoni jumonji/arid domain-containing protein 0.0042 0.0089 0.007
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0803 0.2487 0.2482
Echinococcus granulosus fetal alzheimer antigen falz 0.0049 0.0111 0.0106
Echinococcus granulosus PHD finger protein rhinoceros 0.0029 0.0047 0.0042
Brugia malayi PHD-finger family protein 0.0029 0.0047 0.0039
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0207 0.061 0.0602
Trypanosoma cruzi ISWI complex protein 0.0031 0.0054 0.0116
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0066 0.0165 0.0489
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0051 0.0118 0.1067
Mycobacterium ulcerans glutaminase 0.0285 0.0853 1
Leishmania major peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative 0.0066 0.0165 0.134
Leishmania major hypothetical protein, conserved 0.0031 0.0054 0.0319
Loa Loa (eye worm) PHD-finger family protein 0.0042 0.0088 0.008
Giardia lamblia PHD finger protein 15 0.0029 0.0047 0.031
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0066 0.0163 0.0143
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.002 0.0178
Echinococcus multilocularis lysine specific demethylase 5A 0.0035 0.0066 0.0061
Leishmania major DNA polymerase eta, putative 0.0047 0.0103 0.077
Echinococcus multilocularis dnaJ subfamily B 0.0831 0.2573 0.2569
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.0012 0.0055
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.002 0.0178
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0149 0.0424 0.4909
Plasmodium vivax hypothetical protein, conserved 0.0029 0.0047 0.8522
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0047 0.0861
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0024 0.0033 0.0387
Echinococcus multilocularis PHD finger protein rhinoceros 0.0029 0.0047 0.0042
Echinococcus granulosus cpg binding protein 0.0066 0.0163 0.0157
Schistosoma mansoni hypothetical protein 0.0831 0.2573 0.2559
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0031 0.0054 0.1066
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.0024 0.0033 0.0254
Loa Loa (eye worm) hypothetical protein 0.0018 0.0012 0.0003
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0125 0.0349 0.0344
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0304 0.0914 1
Trichomonas vaginalis rotamase, putative 0.0066 0.0165 0.1625
Trichomonas vaginalis rotamase, putative 0.0068 0.017 0.1681
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 0.0068 0.017 0.0161
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0365 0.1105 0.3647
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0304 0.0914 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.0058 0.014 0.0132
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.003 0.0393
Trypanosoma cruzi ISWI complex protein 0.0031 0.0054 0.0116
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.003 0.0222
Schistosoma mansoni methyl-cpg binding protein mbd 0.0035 0.0065 0.0046
Toxoplasma gondii hypothetical protein 0.0059 0.0142 0.3986
Onchocerca volvulus 0.0031 0.0054 0.026
Loa Loa (eye worm) hypothetical protein 0.0083 0.0217 0.0209
Schistosoma mansoni bromodomain containing protein 0.0132 0.0372 0.0353
Trypanosoma brucei unspecified product 0.002 0.002 0.0178
Schistosoma mansoni jumonji domain containing protein 0.0075 0.0193 0.0174
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative 0.0066 0.0165 0.1625
Toxoplasma gondii histone lysine methyltransferase SET1 0.0116 0.0323 1
Plasmodium falciparum phd finger protein, putative 0.0029 0.0047 1
Echinococcus granulosus dnaJ subfamily B 0.0831 0.2573 0.2569
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.002 0.002 0.0199
Trypanosoma cruzi DNA polymerase eta, putative 0.0047 0.0103 0.0281
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0024 0.0033 0.5105
Brugia malayi hypothetical protein 0.0307 0.0923 0.0915
Loa Loa (eye worm) hypothetical protein 0.0307 0.0923 0.0917
Echinococcus multilocularis geminin 0.0168 0.0485 0.048
Echinococcus granulosus dna polymerase eta 0.0047 0.0103 0.0098
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0024 0.0033 0.0442
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.003 0.0099
Loa Loa (eye worm) PHD-finger family protein 0.0029 0.0047 0.0039
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0304 0.0914 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0046 0.0041
Schistosoma mansoni hypothetical protein 0.0168 0.0485 0.0466
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.003 0.0099
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0033 0.006 0.1265
Leishmania major DNA polymerase eta, putative 0.0033 0.006 0.0367
Echinococcus multilocularis expressed protein 0.0068 0.017 0.0165
Brugia malayi jmjC domain containing protein 0.0095 0.0254 0.0246
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.003 0.0222
Trypanosoma brucei DNA polymerase eta, putative 0.0047 0.0103 0.0934
Loa Loa (eye worm) hypothetical protein 0.005 0.0112 0.0104
Loa Loa (eye worm) hypothetical protein 0.0029 0.0047 0.0039
Schistosoma mansoni methyl-cpg binding protein mbd 0.0035 0.0065 0.0046
Echinococcus granulosus methyl CpG binding domain protein 2 0.0035 0.0065 0.006
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.3189 1 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0019 0.0017 0.0011
Treponema pallidum fructose-bisphosphate aldolase 0.0304 0.0914 1
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.003 0.0222
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0021 0.0021 0.0006
Echinococcus multilocularis L aminoadipate semialdehyde 0.0087 0.0229 0.0224
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0173 0.05 0.4525
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0304 0.0914 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0192 0.0561 1
Echinococcus granulosus EGFP:Bcl2 fusion protein 0.0086 0.0228 0.0223
Trypanosoma brucei hypothetical protein, conserved 0.0024 0.0033 0.0299
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0021 0.0021 0.0006
Loa Loa (eye worm) jmjC domain-containing protein 0.006 0.0144 0.0136
Loa Loa (eye worm) apoptosis regulator protein 0.0086 0.0228 0.022
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0062 0.0153 0.0449
Schistosoma mansoni cpg binding protein 0.0058 0.014 0.0121
Brugia malayi PHD-finger family protein 0.0054 0.0126 0.0118
Echinococcus granulosus peregrin 0.0034 0.0062 0.0057
Echinococcus granulosus Bcl 2 ous antagonist:killer 0.0086 0.0228 0.0223
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.002 0.0178
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0087 0.0229 0.022
Echinococcus multilocularis dna polymerase kappa 0.002 0.002 0.0014
Leishmania major peptidyl-prolyl cis-trans isomerase, putative 0.0021 0.0021 0.0016
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0024 0.0033 1
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0049 0.0111 0.0092

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.3162 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 5.6234 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 6.5733 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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