Detailed information for compound 255350

Basic information

Technical information
  • TDR Targets ID: 255350
  • Name: 2-(1-benzyl-2-ethyl-3-oxamoyl-5-propylindol-4 -yl)oxyacetic acid
  • MW: 422.474 | Formula: C24H26N2O5
  • H donors: 2 H acceptors: 4 LogP: 4.09 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCc1ccc2c(c1OCC(=O)O)c(C(=O)C(=O)N)c(n2Cc1ccccc1)CC
  • InChi: 1S/C24H26N2O5/c1-3-8-16-11-12-18-21(23(16)31-14-19(27)28)20(22(29)24(25)30)17(4-2)26(18)13-15-9-6-5-7-10-15/h5-7,9-12H,3-4,8,13-14H2,1-2H3,(H2,25,30)(H,27,28)
  • InChiKey: YDMJHPNPGZOFEE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(1-benzyl-2-ethyl-3-oxamoyl-5-propyl-indol-4-yl)oxyacetic acid
  • 2-[(1-benzyl-2-ethyl-3-oxamoyl-5-propyl-4-indolyl)oxy]acetic acid
  • 2-[2-ethyl-3-oxamoyl-1-(phenylmethyl)-5-propyl-indol-4-yl]oxyethanoic acid
  • 2-[2-ethyl-3-oxamoyl-1-(phenylmethyl)-5-propylindol-4-yl]oxyacetic acid
  • 2-[2-ethyl-3-oxamoyl-1-(phenylmethyl)-5-propyl-indol-4-yl]oxyacetic acid
  • 2-[[2-ethyl-3-oxamoyl-1-(phenylmethyl)-5-propyl-4-indolyl]oxy]acetic acid
  • 2-[1-(benzyl)-2-ethyl-3-oxamoyl-5-propyl-indol-4-yl]oxyacetic acid

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens phospholipase A2, group IIA (platelets, synovial fluid) Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Phospholipase A2 family protein phospholipase A2, group IIA (platelets, synovial fluid) 144 aa 125 aa 28.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Onchocerca volvulus 0.023 0.3318 1
Schistosoma mansoni netrin receptor unc5 0.0014 0.012 0.012
Trichomonas vaginalis DNA helicase recq, putative 0.0011 0.0078 0.0234
Loa Loa (eye worm) hypothetical protein 0.0361 0.5241 0.9707
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.0009 0.004 0.2202
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0014 0.0121 0.5844
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0056 0.0735 0.1361
Schistosoma mansoni DNA helicase recq5 0.0009 0.004 0.004
Loa Loa (eye worm) MH2 domain-containing protein 0.01 0.1392 0.2579
Echinococcus granulosus mothers against decapentaplegic 5 0.0007 0.0015 0.0027
Mycobacterium ulcerans acyl-CoA synthetase 0.002 0.0207 1
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0007 0.0015 0.0745
Schistosoma mansoni lamin 0.0026 0.0301 0.0301
Schistosoma mansoni tar DNA-binding protein 0.0056 0.0735 0.0735
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.004 0.0511 0.0511
Leishmania major cytochrome p450-like protein 0.0007 0.0015 0.0745
Echinococcus multilocularis 0.0007 0.0015 0.0029
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0007 0.0015 0.0745
Echinococcus granulosus nuclear factor of activated T cells 5 0.0072 0.0972 0.18
Schistosoma mansoni Smad4 0.0007 0.0015 0.0015
Mycobacterium ulcerans cytochrome P450 126A3 Cyp126A3 0.0007 0.0015 0.0745
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0343 0.0343
Echinococcus granulosus intermediate filament protein 0.0026 0.0301 0.0558
Brugia malayi Latrophilin receptor protein 2 0.0027 0.0315 0.0584
Entamoeba histolytica acyl-CoA synthetase, putative 0.002 0.0207 1
Schistosoma mansoni hypothetical protein 0.0027 0.0315 0.0315
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0086 0.1182 0.219
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.004 0.0511 0.0947
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.002 0.0207 1
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0007 0.0015 0.0745
Mycobacterium ulcerans acyl-CoA synthetase 0.002 0.0207 1
Echinococcus multilocularis netrin receptor unc 5 0.0014 0.012 0.0223
Entamoeba histolytica acyl-coA synthetase, putative 0.002 0.0207 1
Mycobacterium ulcerans cytochrome p450 150 cyp150 0.0007 0.0015 0.0745
Schistosoma mansoni smad 0.0007 0.0015 0.0015
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.002 0.0207 1
Echinococcus multilocularis tumor protein p63 0.0283 0.4098 0.7591
Brugia malayi Uncoordinated protein 44 0.0014 0.012 0.0223
Entamoeba histolytica recQ family helicase, putative 0.0011 0.0078 0.3739
Trichomonas vaginalis DNA helicase recq1, putative 0.0021 0.022 0.0664
Echinococcus granulosus smad 0.0007 0.0015 0.0027
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0343 0.0343
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0343 1
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0007 0.0015 0.0745
Loa Loa (eye worm) hypothetical protein 0.0027 0.0315 0.0584
Mycobacterium ulcerans cytochrome P450 136A2 Cyp136A2 0.0007 0.0015 0.0745
Leishmania major 4-coumarate:coa ligase-like protein 0.002 0.0207 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0094 0.0173
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0007 0.0015 0.0745
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0007 0.0015 0.0075
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0014 0.0121 0.5844
Mycobacterium ulcerans cytochrome P450 140A5 Cyp140A5 0.0007 0.0015 0.0745
Mycobacterium ulcerans bacterioferritin BfrB 0.0007 0.0019 0.0906
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.004 0.0511 0.0947
Leishmania major 4-coumarate:coa ligase-like protein 0.002 0.0207 1
Echinococcus granulosus ankyrin repeat and death domain containing protein 0.0014 0.012 0.0223
Mycobacterium ulcerans cytochrome P450 191A3 Cyp191A3 0.0007 0.0015 0.0745
Onchocerca volvulus 0.0026 0.0301 0.0908
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.0301 0.0558
Brugia malayi AMP-binding enzyme family protein 0.002 0.0207 0.0384
Leishmania major 4-coumarate:coa ligase-like protein 0.002 0.0207 1
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0009 0.004 0.0075
Echinococcus granulosus tar DNA binding protein 0.0056 0.0735 0.1361
Onchocerca volvulus 0.0029 0.0343 0.1032
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0343 0.0343
Onchocerca volvulus Phospholipase A2 homolog 0.0111 0.1555 0.4687
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0343 0.0635
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0007 0.0015 0.0745
Schistosoma mansoni hypothetical protein 0.0027 0.0315 0.0315
Mycobacterium ulcerans cytochrome P450 108B4 Cyp108B4 0.0007 0.0015 0.0745
Echinococcus multilocularis expressed protein 0.0007 0.0019 0.0035
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0007 0.0015 0.0745
Brugia malayi Death domain containing protein 0.0014 0.012 0.0223
Echinococcus granulosus death domain containing protein 0.0014 0.012 0.0223
Echinococcus multilocularis mothers against decapentaplegic 5 0.0007 0.0015 0.0027
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0007 0.0015 0.0027
Loa Loa (eye worm) MH1 domain-containing protein 0.0007 0.0015 0.0027
Schistosoma mansoni ferritin light chain 0.0007 0.0019 0.0019
Loa Loa (eye worm) hypothetical protein 0.0026 0.0294 0.0545
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0015 0.0141 0.6813
Echinococcus granulosus bloom syndrome protein 0.0021 0.022 0.0408
Trichomonas vaginalis ferritin, putative 0.0007 0.0019 0.0057
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0009 0.004 0.0075
Echinococcus granulosus cytochrome P450 2K1 0.0007 0.0015 0.0029
Brugia malayi MH1 domain containing protein 0.0007 0.0015 0.0027
Echinococcus granulosus GPCR family 2 0.0027 0.0315 0.0584
Loa Loa (eye worm) CYP4Cod1 0.0015 0.0141 0.0262
Mycobacterium tuberculosis Bacterioferritin BfrB 0.0007 0.0019 0.0906
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0343 0.0343
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0007 0.0015 0.0745
Brugia malayi Phospholipase A2 family protein 0.0111 0.1555 0.288
Loa Loa (eye worm) hypothetical protein 0.0015 0.0133 0.0247
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0007 0.0015 0.0745
Brugia malayi cytochrome P450 0.0007 0.0015 0.0029
Brugia malayi gamma-secretase subunit aph-1 0.0371 0.5399 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0086 0.1182 0.219
Loa Loa (eye worm) DOMON domain-containing protein 0.0069 0.0934 0.1729
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.0343 0.0635
Echinococcus multilocularis smad 0.0007 0.0015 0.0027
Brugia malayi Cytochrome P450 family protein 0.0015 0.0141 0.0262
Loa Loa (eye worm) hypothetical protein 0.0111 0.1555 0.288
Echinococcus granulosus gamma secretase subunit aph 1 0.0371 0.5399 1
Trypanosoma brucei Aph-1 protein, putative 0.0145 0.2051 1
Loa Loa (eye worm) hypothetical protein 0.0086 0.1182 0.219
Loa Loa (eye worm) DOMON domain-containing protein 0.0069 0.0934 0.1729
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.0361 0.5241 0.9707
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0007 0.0015 0.0745
Echinococcus multilocularis gamma secretase subunit aph 1 0.0371 0.5399 1
Echinococcus granulosus TGF beta signal transducer SmadC 0.0007 0.0015 0.0027
Schistosoma mansoni tar DNA-binding protein 0.0056 0.0735 0.0735
Loa Loa (eye worm) gamma-secretase subunit aph-1 0.0371 0.5399 1
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0011 0.0078 0.3739
Brugia malayi Cytochrome P450 family protein 0.0007 0.0015 0.0029
Schistosoma mansoni ferritin 0.0007 0.0019 0.0019
Schistosoma mansoni smad1 5 8 and 0.0007 0.0015 0.0015
Brugia malayi Cytochrome P450 family protein 0.0007 0.0015 0.0029
Loa Loa (eye worm) hypothetical protein 0.002 0.0207 0.0384
Mycobacterium ulcerans cytochrome P450 143A3 Cyp143A3 0.0007 0.0015 0.0745
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0027 0.0315 0.0584
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0007 0.0015 0.0745
Echinococcus multilocularis peptidyl glycine alpha amidating monooxygenase 0.0361 0.5241 0.9707
Trichomonas vaginalis set domain proteins, putative 0.023 0.3316 1
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0015 0.0133 0.5
Loa Loa (eye worm) hypothetical protein 0.0009 0.004 0.0075
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0007 0.0015 0.0745
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0027 0.0315 0.0584
Brugia malayi MH1 domain containing protein 0.0007 0.0015 0.0027
Loa Loa (eye worm) transcription factor SMAD2 0.01 0.1392 0.2579
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0007 0.0015 0.0745
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0009 0.004 0.1177
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0014 0.0121 0.3533
Loa Loa (eye worm) hypothetical protein 0.0111 0.1555 0.288
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0007 0.0015 0.0075
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0027 0.0315 0.0584
Brugia malayi cytoplasmic intermediate filament protein 0.0014 0.0121 0.0225
Loa Loa (eye worm) hypothetical protein 0.0041 0.0526 0.0975
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0007 0.0015 0.0745
Leishmania major cytochrome p450-like protein 0.0015 0.0141 0.6813
Onchocerca volvulus 0.0069 0.0934 0.2814
Brugia malayi follicle stimulating hormone receptor 0.0227 0.3263 0.6045
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0018 0.0183 1
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0009 0.004 0.0075
Echinococcus multilocularis tar DNA binding protein 0.0056 0.0735 0.1361
Schistosoma mansoni apoferritin-2 0.0007 0.0019 0.0019
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0072 0.0972 0.18
Echinococcus granulosus ferritin 0.0007 0.0019 0.0035
Schistosoma mansoni cellular tumor antigen P53 0.0041 0.0526 0.0526
Brugia malayi Pre-SET motif family protein 0.0202 0.2903 0.5377
Brugia malayi DOMON domain containing protein 0.0069 0.0934 0.1729
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.002 0.0207 1
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0009 0.004 0.0075
Mycobacterium ulcerans cytochrome P450 144A4 Cyp144A4 0.0007 0.0015 0.0745
Loa Loa (eye worm) cytochrome P450 family protein 0.0007 0.0015 0.0029
Echinococcus multilocularis Smad4 0.0007 0.0015 0.0027
Loa Loa (eye worm) hypothetical protein 0.0361 0.5241 0.9707
Mycobacterium ulcerans cytochrome P450 143A4 Cyp143A4 0.0007 0.0015 0.0745
Mycobacterium ulcerans hypothetical protein 0.002 0.0207 1
Brugia malayi Bloom's syndrome protein homolog 0.0021 0.022 0.0408
Brugia malayi TAR-binding protein 0.0056 0.0735 0.1361
Brugia malayi RNA binding protein 0.0056 0.0735 0.1361
Schistosoma mansoni tar DNA-binding protein 0.0056 0.0735 0.0735
Echinococcus granulosus Smad4 0.0007 0.0015 0.0027
Schistosoma mansoni hypothetical protein 0.0027 0.0315 0.0315
Echinococcus multilocularis GPCR, family 2 0.0027 0.0315 0.0584
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0007 0.0015 0.0745
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.002 0.0207 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.002 0.0207 1
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0009 0.004 0.0075
Plasmodium vivax SET domain protein, putative 0.0029 0.0343 1
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0009 0.004 0.1177
Brugia malayi DOMON domain containing protein 0.0069 0.0934 0.1729
Schistosoma mansoni retinoblastoma-binding protein 4 (rbbp4) 0.0014 0.0122 0.0122
Loa Loa (eye worm) hypothetical protein 0.0012 0.0094 0.0173
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.004 0.0511 0.0947
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0014 0.0119 0.3462
Mycobacterium ulcerans acyl-CoA synthetase 0.002 0.0207 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0015 0.0141 0.0262
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0007 0.0015 0.0745
Wolbachia endosymbiont of Brugia malayi bacterioferritin/cytochrome b1 0.0007 0.0019 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0015 0.0141 0.0262
Trypanosoma cruzi cytochrome P450, putative 0.0015 0.0141 0.0689
Mycobacterium ulcerans cytochrome P450 189A7 Cyp189A7 0.0007 0.0015 0.0745
Mycobacterium ulcerans fatty-acid-CoA ligase 0.002 0.0207 1
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0009 0.004 0.0075
Schistosoma mansoni ferritin light chain 0.0007 0.0019 0.0019
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.004 0.0511 0.0947
Onchocerca volvulus 0.0026 0.0301 0.0908
Loa Loa (eye worm) RNA binding protein 0.0056 0.0735 0.1361
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0007 0.0015 0.0745
Plasmodium falciparum acyl-CoA synthetase 0.0015 0.0133 0.7275
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.004 0.0511 0.0511
Brugia malayi latrophilin 2 splice variant baaae 0.0059 0.0781 0.1447
Brugia malayi intermediate filament protein 0.0026 0.0301 0.0558
Echinococcus granulosus lamin 0.0026 0.0301 0.0558
Onchocerca volvulus Phospholipase A2 homolog 0.0111 0.1555 0.4687
Trypanosoma brucei cytochrome P450, putative 0.0015 0.0141 0.0689
Mycobacterium ulcerans bacterioferritin BfrA 0.0007 0.0019 0.0906
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0013 0.0101 0.0187
Echinococcus multilocularis lamin 0.0026 0.0301 0.0558
Brugia malayi MH2 domain containing protein 0.01 0.1392 0.2579
Schistosoma mansoni ferritin 0.0007 0.0019 0.0019
Schistosoma mansoni hypothetical protein 0.0027 0.0315 0.0315
Echinococcus granulosus tumor protein p63 0.0283 0.4098 0.7591
Trypanosoma cruzi Aph-1 protein, putative 0.0145 0.2051 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0027 0.0315 0.0584
Mycobacterium ulcerans cytochrome P450 187A4 Cyp187A4 0.0007 0.0015 0.0745
Loa Loa (eye worm) hypothetical protein 0.0014 0.0122 0.0226
Echinococcus granulosus Ankyrin 0.0014 0.0122 0.0226
Schistosoma mansoni peptidyl-glycine monooxygenase 0.0361 0.5241 0.5241
Schistosoma mansoni tar DNA-binding protein 0.0056 0.0735 0.0735
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0007 0.0015 0.0075
Mycobacterium ulcerans cytochrome P450 124A1, Cyp124A1 0.0007 0.0015 0.0745
Echinococcus granulosus expressed protein 0.0007 0.0019 0.0035
Echinococcus multilocularis lamin dm0 0.0026 0.0301 0.0558
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0014 0.0121 0.5844
Toxoplasma gondii cytochrome p450 superfamily protein 0.0007 0.0015 0.0451
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0007 0.0015 0.0015
Schistosoma mansoni hypothetical protein 0.0014 0.012 0.012
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0013 0.0101 0.0187
Onchocerca volvulus Netrin receptor homolog 0.0014 0.012 0.0363
Schistosoma mansoni ferritin 0.0007 0.0019 0.0019
Brugia malayi RNA recognition motif domain containing protein 0.0056 0.0735 0.1361
Loa Loa (eye worm) MH2 domain-containing protein 0.0007 0.0015 0.0027
Schistosoma mansoni intermediate filament proteins 0.0026 0.0301 0.0301
Echinococcus multilocularis Ankyrin 0.0014 0.0122 0.0226
Loa Loa (eye worm) hypothetical protein 0.002 0.0207 0.0384
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.0361 0.5241 0.9707
Schistosoma mansoni cytochrome P450 0.0007 0.0015 0.0015
Mycobacterium ulcerans cytochrome P450 188A3 Cyp188A3 0.0007 0.0015 0.0745
Schistosoma mansoni blooms syndrome DNA helicase 0.0016 0.0156 0.0156
Trichomonas vaginalis DNA helicase recq, putative 0.0021 0.022 0.0664
Echinococcus granulosus lamin dm0 0.0026 0.0301 0.0558
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0086 0.1182 0.219
Schistosoma mansoni apoferritin-2 0.0007 0.0019 0.0019
Entamoeba histolytica acyl-CoA synthetase, putative 0.002 0.0207 1
Plasmodium vivax acyl-CoA synthetase, putative 0.0015 0.0133 0.3887
Echinococcus multilocularis musashi 0.0026 0.0301 0.0558
Treponema pallidum bacterioferrin (TpF1) 0.0007 0.0019 0.5
Brugia malayi Immunoglobulin I-set domain containing protein 0.0014 0.012 0.0223
Schistosoma mansoni peptidylglycine monooxygenase 0.0361 0.5241 0.5241
Loa Loa (eye worm) hypothetical protein 0.002 0.0207 0.0384
Echinococcus multilocularis ankyrin repeat and death domain containing protein 0.0014 0.012 0.0223
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.0007 0.0015 0.0745
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0015 0.0133 0.6421
Loa Loa (eye worm) DOMON domain-containing protein 0.0069 0.0934 0.1729
Loa Loa (eye worm) hypothetical protein 0.0059 0.0781 0.1447
Schistosoma mansoni DNA helicase recq1 0.0009 0.004 0.004
Loa Loa (eye worm) hypothetical protein 0.0015 0.0133 0.0247
Loa Loa (eye worm) hypothetical protein 0.0015 0.0133 0.0247
Trypanosoma cruzi Aph-1 protein, putative 0.0145 0.2051 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.012 0.0223
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0027 0.0315 0.0584
Mycobacterium leprae PROBABLE BACTERIOFERRITIN BFRA 0.0007 0.0019 0.0906
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0009 0.004 0.0075
Schistosoma mansoni ankyrin 23/unc44 0.0014 0.012 0.012
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.0121 0.0225
Mycobacterium tuberculosis Probable bacterioferritin BfrA 0.0007 0.0019 0.0906
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0202 0.2903 0.5377
Schistosoma mansoni hypothetical protein 0.0059 0.0781 0.0781
Brugia malayi AMP-binding enzyme family protein 0.002 0.0207 0.0384
Mycobacterium ulcerans cytochrome P450 187A5 Cyp187A5 0.0007 0.0015 0.0745
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.002 0.0207 1
Loa Loa (eye worm) hypothetical protein 0.0013 0.0101 0.0187
Echinococcus granulosus peptidyl glycine alpha amidating monooxygenase 0.0361 0.5241 0.9707
Echinococcus multilocularis ferritin 0.0007 0.0019 0.0035
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0227 0.3263 0.6045
Brugia malayi Protein kinase domain containing protein 0.0014 0.012 0.0223
Loa Loa (eye worm) latrophilin receptor protein 2 0.0027 0.0315 0.0584
Loa Loa (eye worm) TAR-binding protein 0.0056 0.0735 0.1361
Schistosoma mansoni tar DNA-binding protein 0.0056 0.0735 0.0735
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0015 0.0133 0.6421
Loa Loa (eye worm) hypothetical protein 0.0029 0.0343 0.0635
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0327 0.0605
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0007 0.0015 0.0745
Schistosoma mansoni ferritin 0.0007 0.0019 0.0019
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0011 0.0078 0.0378
Mycobacterium ulcerans cytochrome P450 142A3 Cyp142A3 0.0007 0.0015 0.0745
Trypanosoma cruzi cytochrome P450, putative 0.0015 0.0141 0.0689
Loa Loa (eye worm) hypothetical protein 0.0017 0.0158 0.0293
Schistosoma mansoni lamin 0.0026 0.0301 0.0301
Loa Loa (eye worm) intermediate filament protein 0.0026 0.0301 0.0558
Giardia lamblia Sgs1 DNA helicase, putative 0.0009 0.004 0.5
Mycobacterium leprae Conserved hypothetical protein 0.0007 0.0015 0.0745
Mycobacterium leprae putative cytochrome p450 0.0007 0.0015 0.0745
Loa Loa (eye worm) cytochrome P450 0.0007 0.0015 0.0029
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0007 0.0015 0.0745
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.004 0.0511 0.0511
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0343 0.0635
Leishmania major cytochrome p450-like protein 0.0007 0.0015 0.0745
Echinococcus multilocularis bloom syndrome protein 0.0021 0.022 0.0408
Loa Loa (eye worm) hypothetical protein 0.0015 0.0133 0.0247
Mycobacterium ulcerans cytochrome P450 105Q4 Cyp105Q4 0.0007 0.0015 0.0745
Echinococcus granulosus netrin receptor unc 5 0.0014 0.012 0.0223
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.002 0.0207 1
Brugia malayi MH2 domain containing protein 0.0007 0.0015 0.0027
Loa Loa (eye worm) RecQ helicase 0.0021 0.022 0.0408
Loa Loa (eye worm) hypothetical protein 0.0026 0.0301 0.0558
Mycobacterium ulcerans cytochrome P450 150A6 Cyp150A6 0.0007 0.0015 0.0745
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.0301 0.0558
Brugia malayi Pre-SET motif family protein 0.0029 0.0343 0.0635
Brugia malayi Smad1 0.0007 0.0015 0.0027
Schistosoma mansoni smad1 5 8 and 0.0007 0.0015 0.0015
Brugia malayi DOMON domain containing protein 0.0069 0.0934 0.1729
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.004 0.0511 0.0947
Loa Loa (eye worm) Smad1 0.0007 0.0015 0.0027
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0014 0.012 0.0223
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0007 0.0015 0.0745
Schistosoma mansoni smad1 5 8 and 0.0007 0.0015 0.0015
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.004 0.0511 0.0947
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.0178 0.2538 0.47
Onchocerca volvulus 0.0069 0.0934 0.2814
Mycobacterium ulcerans cytochrome P450 125A7 Cyp125A7 0.0007 0.0015 0.0745
Brugia malayi Cytochrome P450 family protein 0.0015 0.0141 0.0262
Schistosoma mansoni gamma-secretase subunit aph-1 0.0371 0.5399 0.5399
Loa Loa (eye worm) hypothetical protein 0.0009 0.004 0.0073
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0007 0.0015 0.0745
Brugia malayi Copper type II ascorbate-dependent monooxygenase, N-terminal domain containing protein 0.0183 0.2617 0.4847
Mycobacterium ulcerans cytochrome P450 123A3 Cyp123A3 0.0007 0.0015 0.0745
Brugia malayi AMP-binding enzyme family protein 0.002 0.0207 0.0384
Onchocerca volvulus 0.002 0.0207 0.0625
Loa Loa (eye worm) hypothetical protein 0.0015 0.0133 0.0247
Schistosoma mansoni hypothetical protein 0.0007 0.0015 0.0015
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0014 0.0121 0.5844
Brugia malayi MH2 domain containing protein 0.0007 0.0015 0.0027
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0007 0.0015 0.0075
Onchocerca volvulus 0.0041 0.0526 0.1586
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0011 0.0078 0.0378

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 2.07 uM Inhibition of human nonpancreatic secretory Phospholipase A2 through chromogenic assay ChEMBL. 8978844
IC50 (binding) = 2.07 uM Inhibition of human nonpancreatic secretory Phospholipase A2 through chromogenic assay ChEMBL. 8978844
Mole fraction (functional) = 0.0017 Mole fraction of the IC50 concentration of compound divided by the total lipid concentration (1230 microM) in a chromogenic assay ChEMBL. 8978844

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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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