Detailed information for compound 41548

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 481.501 | Formula: C26H30N2O5P+
  • H donors: 4 H acceptors: 5 LogP: 0.16 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: C[C@H](C(=O)O)NC(=O)[C@H](CP(=O)([C@H](c1ccccc1)[NH3+])O)Cc1ccc(cc1)c1ccccc1
  • InChi: 1S/C26H29N2O5P/c1-18(26(30)31)28-25(29)23(17-34(32,33)24(27)22-10-6-3-7-11-22)16-19-12-14-21(15-13-19)20-8-4-2-5-9-20/h2-15,18,23-24H,16-17,27H2,1H3,(H,28,29)(H,30,31)(H,32,33)/p+1/t18-,23+,24-/m0/s1
  • InChiKey: NCJYNTULOJIUPY-GLYQVZKVSA-O  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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
Loa Loa (eye worm) MH2 domain-containing protein 0.0128 0.0797 0.1557
Echinococcus multilocularis aminopeptidase N 0.0286 0.1901 0.1901
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0084 0.0496 0.0496
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.0084 0.0496 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0032 0.0133 0.0106
Echinococcus multilocularis lysine specific demethylase 5A 0.0042 0.0203 0.0203
Loa Loa (eye worm) hypothetical protein 0.0036 0.0164 0.0319
Echinococcus multilocularis polycomb protein SCMH1 0.0053 0.0277 0.0277
Schistosoma mansoni hypothetical protein 0.006 0.0324 0.0297
Loa Loa (eye worm) hypothetical protein 0.0257 0.1695 0.3313
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0033 0.0137 0.0656
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0019 0.0041 0.0041
Loa Loa (eye worm) peptidase family M13 containing protein 0.0169 0.1082 0.2115
Echinococcus multilocularis lamin dm0 0.0028 0.0105 0.0105
Echinococcus granulosus transmembrane protease serine 3 0.0032 0.0133 0.0133
Onchocerca volvulus 0.0092 0.0549 0.2473
Loa Loa (eye worm) hypothetical protein 0.0311 0.2075 0.4056
Toxoplasma gondii peptidase family M13 protein 0.0228 0.1496 1
Echinococcus granulosus lamin 0.0028 0.0105 0.0105
Plasmodium falciparum M1-family alanyl aminopeptidase 0.003 0.0117 0.4589
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.003 0.0117 0.1653
Schistosoma mansoni family M13 non-peptidase homologue (M13 family) 0.0056 0.0297 0.027
Loa Loa (eye worm) hypothetical protein 0.0053 0.0281 0.0548
Echinococcus granulosus intermediate filament protein 0.0028 0.0105 0.0105
Echinococcus multilocularis transmembrane protease serine 3 0.0032 0.0133 0.0133
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0113 0.0221
Brugia malayi intermediate filament protein 0.0028 0.0105 0.0203
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0041 0.0041
Brugia malayi Peptidase family M1 containing protein 0.003 0.0117 0.0226
Loa Loa (eye worm) angiotensin-converting enzyme family protein 0.0749 0.5115 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0032 0.0133 0.0106
Plasmodium falciparum phd finger protein, putative 0.0035 0.0152 0.5999
Schistosoma mansoni mixed-lineage leukemia protein mll 0.002 0.0048 0.002
Echinococcus multilocularis musashi 0.0028 0.0105 0.0105
Onchocerca volvulus Alhambra homolog 0.0035 0.0152 0.0263
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0895 0.6131 0.6131
Loa Loa (eye worm) jmjC domain-containing protein 0.0072 0.0409 0.0798
Echinococcus multilocularis neuropeptide s receptor 0.0464 0.3138 0.3138
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.006 0.0327 0.0327
Brugia malayi hypothetical protein 0.003 0.0117 0.0226
Schistosoma mansoni intermediate filament proteins 0.0028 0.0105 0.0077
Loa Loa (eye worm) hypothetical protein 0.0169 0.1082 0.2115
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0084 0.0496 1
Toxoplasma gondii aminopeptidase N, putative 0.003 0.0117 0.0517
Loa Loa (eye worm) hypothetical protein 0.0027 0.0101 0.0196
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0056 0.0297 0.027
Loa Loa (eye worm) hypothetical protein 0.0032 0.0133 0.0259
Mycobacterium leprae probable zinc metalloprotease 0.0228 0.1496 1
Brugia malayi Latrophilin receptor protein 2 0.0017 0.0028 0.0052
Loa Loa (eye worm) hypothetical protein 0.0202 0.1315 0.257
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.003 0.0117 0.4589
Onchocerca volvulus 0.0032 0.0133 0.0159
Echinococcus granulosus endothelin converting enzyme 1 0.0228 0.1496 0.1496
Echinococcus granulosus histone acetyltransferase MYST2 0.006 0.0327 0.0327
Toxoplasma gondii histone lysine methyltransferase SET1 0.0056 0.0303 0.1799
Brugia malayi Trypsin family protein 0.0032 0.0133 0.0258
Loa Loa (eye worm) hypothetical protein 0.0173 0.111 0.2169
Brugia malayi Cytochrome P450 family protein 0.0023 0.0068 0.0132
Loa Loa (eye worm) hypothetical protein 0.0173 0.111 0.2169
Loa Loa (eye worm) hypothetical protein 0.0059 0.0324 0.0633
Entamoeba histolytica hypothetical protein 0.0111 0.0685 1
Brugia malayi PHD-finger family protein 0.0035 0.0152 0.0295
Trypanosoma cruzi metallo-peptidase, Clan MA(E) Family M1 0.0055 0.029 0.5474
Brugia malayi F/Y-rich N-terminus family protein 0.0021 0.006 0.0114
Plasmodium falciparum ataxin-2 like protein, putative 0.0049 0.0252 1
Echinococcus granulosus PHD finger protein rhinoceros 0.0035 0.0152 0.0152
Loa Loa (eye worm) leukotriene A4 hydrolase 0.003 0.0117 0.0227
Trypanosoma brucei hypothetical protein, conserved 0.0026 0.0092 0.1122
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0124 0.0771 0.0746
Loa Loa (eye worm) hypothetical protein 0.0032 0.0133 0.0259
Echinococcus granulosus peregrin 0.0035 0.0152 0.0152
Brugia malayi Trypsin family protein 0.0032 0.0133 0.0258
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.006 0.0327 0.0327
Schistosoma mansoni hypothetical protein 0.0036 0.0164 0.0136
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0033 0.0138 0.2129
Brugia malayi peptidase family M13 containing protein 0.0056 0.0297 0.0578
Brugia malayi Muscleblind-like protein 0.0311 0.2075 0.4056
Schistosoma mansoni neprilysin-2 (M13 family) 0.0115 0.0711 0.0685
Brugia malayi MH2 domain containing protein 0.0128 0.0797 0.1557
Schistosoma mansoni endothelin-converting enzyme-related 0.0056 0.0297 0.027
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.006 0.0324 0.0297
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0013 0.0004 0.0004
Loa Loa (eye worm) hypothetical protein 0.0124 0.0771 0.1507
Toxoplasma gondii peptidylprolyl isomerase 0.0033 0.0138 0.0666
Echinococcus multilocularis enteropeptidase 0.0032 0.0133 0.0133
Trichomonas vaginalis set domain proteins, putative 0.0254 0.1674 1
Onchocerca volvulus 0.0254 0.1674 0.8738
Schistosoma mansoni hypothetical protein 0.0032 0.0133 0.0106
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0032 0.0133 0.0106
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0137 0.0109
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0026 0.0092 0.5
Schistosoma mansoni rotamase 0.0034 0.0144 0.0116
Echinococcus granulosus Mastin 0.0032 0.0133 0.0133
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0053 0.0281 0.0547
Loa Loa (eye worm) hypothetical protein 0.0055 0.029 0.0567
Echinococcus granulosus Peptidase S1 S6 chymotrypsin Hap 0.0032 0.0133 0.0133
Schistosoma mansoni sex comb on midleg homolog 0.0053 0.0277 0.0249
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0084 0.0496 0.0496
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative 0.0033 0.0138 0.2129
Loa Loa (eye worm) hypothetical protein 0.003 0.0117 0.0227
Echinococcus granulosus jumonji domain containing protein 0.0048 0.0246 0.0246
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0055 0.029 0.029
Brugia malayi hypothetical protein 0.0032 0.0131 0.0254
Trypanosoma cruzi PAB1-binding protein , putative 0.0049 0.0252 0.4627
Schistosoma mansoni lamin 0.0028 0.0105 0.0077
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative 0.0033 0.0138 0.0773
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0114 0.0701 0.0701
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.0289 0.0262
Brugia malayi cytoplasmic intermediate filament protein 0.0015 0.0015 0.0026
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0084 0.0496 0.0496
Onchocerca volvulus 0.0032 0.0133 0.0159
Trypanosoma cruzi aminopeptidase, putative 0.003 0.0117 0.1653
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0084 0.0496 1
Onchocerca volvulus 0.003 0.0117 0.0066
Brugia malayi jmjC domain containing protein 0.0114 0.0701 0.1368
Echinococcus granulosus aminopeptidase N 0.0286 0.1901 0.1901
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.0084 0.0496 0.047
Mycobacterium tuberculosis Probable zinc metalloprotease Zmp1 0.0228 0.1496 1
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0116 0.0719 0.0693
Schistosoma mansoni jumonji domain containing protein 0.009 0.0538 0.0512
Echinococcus granulosus cpg binding protein 0.0031 0.0125 0.0125
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0144 0.0174
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0084 0.0496 0.0496
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.0105 0.0203
Schistosoma mansoni Nep2 peptidase (M13 family) 0.0115 0.0711 0.0685
Schistosoma mansoni family M13 non-peptidase homologue (M13 family) 0.0115 0.0711 0.0685
Brugia malayi hypothetical protein 0.0032 0.0133 0.0258
Brugia malayi Hypothetical zinc metalloproteinase T16A9.4 0.0228 0.1496 0.2923
Loa Loa (eye worm) hypothetical protein 0.0173 0.111 0.2169
Schistosoma mansoni cpg binding protein 0.0029 0.0113 0.0086
Echinococcus multilocularis dnaJ subfamily B 0.0416 0.28 0.28
Loa Loa (eye worm) trypsin family protein 0.0032 0.0133 0.0259
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0017 0.0028 0.0028
Mycobacterium ulcerans aminopeptidase N PepN 0.0084 0.0496 0.2878
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0033 0.0138 0.2129
Schistosoma mansoni transcription factor LCR-F1 0.0111 0.0685 0.0659
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0056 0.0297 0.027
Echinococcus granulosus SAM and MBT domain containing protein 0.0053 0.0277 0.0277
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0084 0.0496 0.0496
Echinococcus multilocularis glycoprotein Antigen 5 0.0032 0.0133 0.0133
Echinococcus granulosus puromycin sensitive aminopeptidase 0.003 0.0117 0.0117
Schistosoma mansoni cpg binding protein 0.0031 0.0125 0.0098
Loa Loa (eye worm) hypothetical protein 0.0173 0.111 0.2169
Trypanosoma cruzi aminopeptidase, putative 0.0084 0.0496 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.0252 0.0491
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0026 0.0092 0.0351
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0017 0.0028 0.0028
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0013 0.0004 0.0004
Echinococcus granulosus leukotriene A 4 hydrolase 0.003 0.0117 0.0117
Loa Loa (eye worm) hypothetical protein 0.0113 0.0696 0.136
Schistosoma mansoni cercarial elastase (S01 family) 0.0032 0.0133 0.0106
Onchocerca volvulus 0.0113 0.0696 0.3293
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0207 0.1353 0.1353
Schistosoma mansoni cercarial elastase (S01 family) 0.0032 0.0133 0.0106
Loa Loa (eye worm) hypothetical protein 0.0033 0.0137 0.0266
Schistosoma mansoni hypothetical protein 0.0032 0.0133 0.0106
Schistosoma mansoni hypothetical protein 0.006 0.0324 0.0297
Loa Loa (eye worm) hypothetical protein 0.0169 0.1082 0.2115
Echinococcus granulosus L aminoadipate semialdehyde 0.0093 0.0557 0.0557
Loa Loa (eye worm) hypothetical protein 0.0161 0.1033 0.2018
Loa Loa (eye worm) hypothetical protein 0.0017 0.0028 0.0053
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0054 0.0289 0.0289
Loa Loa (eye worm) latrophilin receptor protein 2 0.0017 0.0028 0.0053
Echinococcus granulosus GPCR family 2 0.0017 0.0028 0.0028
Leishmania major puromycin-sensitive aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.003 0.0117 0.1653
Schistosoma mansoni lamin 0.0028 0.0105 0.0077
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0041 0.0041
Loa Loa (eye worm) zinc metallopeptidase 4 0.0056 0.0297 0.0579
Schistosoma mansoni cercarial elastase (S01 family) 0.0032 0.0133 0.0106
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0054 0.0289 0.0289
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.0289 0.0262
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0026 0.0092 0.0351
Echinococcus multilocularis endothelin converting enzyme 1 0.0228 0.1496 0.1496
Schistosoma mansoni aminopeptidase A (M01 family) 0.003 0.0117 0.0089
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0093 0.0557 0.0531
Toxoplasma gondii LsmAD domain-containing protein 0.0049 0.0252 0.1447
Loa Loa (eye worm) aminopeptidase N 0.0084 0.0496 0.0969
Toxoplasma gondii aminopeptidase n, putative 0.003 0.0117 0.0517
Schistosoma mansoni family M1 non-peptidase homologue (M01 family) 0.0055 0.029 0.0263
Plasmodium vivax ataxin-2 like protein, putative 0.0049 0.0252 1
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0114 0.0701 0.0701
Toxoplasma gondii aminopeptidase N protein 0.003 0.0117 0.0517
Brugia malayi Angiotensin-converting enzyme family protein 0.0749 0.5115 1
Echinococcus multilocularis Mastin 0.0032 0.0133 0.0133
Loa Loa (eye worm) hypothetical protein 0.0013 0.0001 0.0001
Brugia malayi hypothetical protein 0.0084 0.0496 0.0969
Loa Loa (eye worm) hypothetical protein 0.0032 0.0133 0.0259
Mycobacterium ulcerans aminopeptidase N PepN 0.003 0.0117 0.0172
Echinococcus multilocularis SAM and MBT domain containing protein 0.0053 0.0277 0.0277
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0022 0.0064 0.0064
Loa Loa (eye worm) hypothetical protein 0.0228 0.1496 0.2924
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 0.0034 0.0144 0.0279
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.0015 0.0027
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.0289 0.0262
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0054 0.0289 0.0564
Schistosoma mansoni myelin transcription factor 1 myt1 0.006 0.0327 0.03
Echinococcus multilocularis cpg binding protein 0.0031 0.0125 0.0125
Schistosoma mansoni hypothetical protein 0.0416 0.28 0.278
Brugia malayi TATA binding protein associated factor 0.003 0.0117 0.0226
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.0164 0.0318
Leishmania major peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative 0.0033 0.0138 0.2129
Brugia malayi Trypsin family protein 0.0032 0.0133 0.0258
Brugia malayi hypothetical protein 0.0049 0.0252 0.0491
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0033 0.0137 0.0109
Trypanosoma cruzi metallo-peptidase, Clan MA(E) Family M1 0.003 0.0117 0.1653
Trypanosoma brucei PAB1-binding protein , putative 0.0049 0.0252 0.4627
Schistosoma mansoni cercarial elastase (S01 family) 0.0032 0.0133 0.0106
Trypanosoma brucei Aminopeptidase M1, putative 0.0084 0.0496 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0063 0.0349 0.0322
Loa Loa (eye worm) hypothetical protein 0.0035 0.0152 0.0296
Loa Loa (eye worm) hypothetical protein 0.0028 0.0105 0.0203
Loa Loa (eye worm) peptidase family M1 containing protein 0.0232 0.1521 0.2973
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.006 0.0327 0.0638
Schistosoma mansoni cercarial elastase (S01 family) 0.0032 0.0133 0.0106
Plasmodium falciparum M1-family alanyl aminopeptidase, putative 0.003 0.0117 0.4589
Echinococcus granulosus neuropeptide s receptor 0.0464 0.3138 0.3138
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0223 0.146 0.2854
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.0152 0.0296
Loa Loa (eye worm) TATA binding protein associated factor 0.003 0.0117 0.0227
Entamoeba histolytica hypothetical protein 0.0111 0.0685 1
Mycobacterium ulcerans hypothetical protein 0.0032 0.0133 0.029
Brugia malayi Trypsin-like protease protein 5 0.0032 0.0133 0.0258
Leishmania major phosphopantetheinyl transferase-like protein 0.0026 0.0092 0.1122
Echinococcus granulosus geminin 0.0181 0.1169 0.1169
Loa Loa (eye worm) hypothetical protein 0.0013 0.0004 0.0007
Giardia lamblia PHD finger protein 15 0.0035 0.0152 0.5
Schistosoma mansoni hypothetical protein 0.0181 0.1169 0.1144
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0017 0.0028 0.0028
Loa Loa (eye worm) hypothetical protein 0.0055 0.029 0.0567
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0152 0.5999
Schistosoma mansoni microtubule-associated protein tau 0.1451 1 1
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0115 0.0711 0.0685
Leishmania major hypothetical protein, conserved 0.0049 0.0252 0.4627
Brugia malayi mbt repeat family protein 0.0053 0.0277 0.0539
Trypanosoma cruzi Aminopeptidase M1, putative 0.0084 0.0496 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0017 0.0028 0.0028
Loa Loa (eye worm) MBCTL1 0.006 0.0327 0.0638
Echinococcus granulosus histone lysine methyltransferase setb 0.0033 0.0137 0.0137
Echinococcus multilocularis isocitrate dehydrogenase 0.0019 0.0041 0.0041
Schistosoma mansoni hypothetical protein 0.006 0.0324 0.0297
Schistosoma mansoni neprilysin 0.006 0.0324 0.0297
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0019 0.0041 0.0041
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase 0.0034 0.0144 0.028
Onchocerca volvulus 0.0032 0.0133 0.0159
Schistosoma mansoni jumonji/arid domain-containing protein 0.0044 0.0214 0.0187
Trypanosoma brucei aminopeptidase, putative 0.003 0.0117 0.1653
Entamoeba histolytica aminopeptidase, putative 0.0084 0.0496 0.6817
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0032 0.0133 0.0106
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0137 0.0109
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0084 0.0496 0.0496
Onchocerca volvulus 0.0286 0.1901 1
Onchocerca volvulus 0.0032 0.0133 0.0159
Echinococcus multilocularis histone acetyltransferase MYST2 0.006 0.0327 0.0327
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0115 0.0711 0.0685
Brugia malayi isocitrate dehydrogenase 0.0019 0.0041 0.0079
Echinococcus multilocularis GPCR, family 2 0.0017 0.0028 0.0028
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0054 0.0289 0.0289
Echinococcus multilocularis jumonji domain containing protein 0.0048 0.0246 0.0246
Echinococcus granulosus polycomb protein SCMH1 0.0053 0.0277 0.0277
Loa Loa (eye worm) hypothetical protein 0.0093 0.0557 0.1088
Entamoeba histolytica hypothetical protein 0.0111 0.0685 1
Echinococcus multilocularis muscleblind protein 1 0.0311 0.2075 0.2075
Echinococcus granulosus neuropeptide receptor A26 0.0464 0.3138 0.3138
Schistosoma mansoni hypothetical protein 0.0111 0.0685 0.0659
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0084 0.0496 0.2439
Echinococcus multilocularis muscleblind protein 0.0311 0.2075 0.2075
Mycobacterium ulcerans zinc metalloprotease 0.0228 0.1496 1
Schistosoma mansoni hypothetical protein 0.006 0.0324 0.0297
Brugia malayi Isocitrate dehydrogenase 0.0019 0.0041 0.0079
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0022 0.0064 0.0064
Loa Loa (eye worm) cytochrome P450 family protein 0.0023 0.0068 0.0132
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.003 0.0117 0.4589
Schistosoma mansoni sex comb on midleg homolog 0.0053 0.0277 0.0249
Brugia malayi Peptidase family M1 containing protein 0.0084 0.0496 0.0969
Brugia malayi mbt repeat family protein 0.0053 0.0277 0.0539
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0032 0.0133 0.0106
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0033 0.0137 0.0137
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0035 0.0152 0.0124
Brugia malayi Peptidase family M13 containing protein 0.0228 0.1496 0.2923
Schistosoma mansoni cercarial elastase (S01 family) 0.0032 0.0133 0.0106
Brugia malayi Calcitonin receptor-like protein seb-1 0.0053 0.0281 0.0547
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.003 0.0117 0.1653
Trypanosoma brucei Aminopeptidase M1, putative 0.0084 0.0496 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0053 0.0281 0.0548
Trichomonas vaginalis rotamase, putative 0.0033 0.0138 0.0139
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0054 0.0289 0.0289
Onchocerca volvulus 0.0033 0.0137 0.0179
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0026 0.0092 0.5
Loa Loa (eye worm) hypothetical protein 0.0053 0.0277 0.0539
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0152 0.076
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0137 0.0109
Brugia malayi Pre-SET motif family protein 0.0033 0.0137 0.0265
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.003 0.0117 0.0089
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0031 0.0124 0.0124
Onchocerca volvulus 0.0093 0.0557 0.2519
Schistosoma mansoni endothelin-converting enzyme-like 1 (damage-induced neuronal endopeptidase) 0.0056 0.0297 0.027
Brugia malayi Peptidase family M1 containing protein 0.0286 0.1901 0.3715
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0053 0.0277 0.0957
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0026 0.0092 0.3622
Onchocerca volvulus 0.0161 0.1033 0.5167
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0033 0.0137 0.0137
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0053 0.0277 0.0249
Echinococcus multilocularis PHD finger protein rhinoceros 0.0035 0.0152 0.0152
Brugia malayi Pre-SET motif family protein 0.0223 0.146 0.2854
Onchocerca volvulus 0.0124 0.0771 0.3712
Loa Loa (eye worm) hypothetical protein 0.006 0.0327 0.0638
Plasmodium vivax SET domain protein, putative 0.0033 0.0137 0.5394
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0124 0.0771 0.0746
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0084 0.0496 0.0496
Schistosoma mansoni hypothetical protein 0.0181 0.1169 0.1144
Brugia malayi Chymotrypsin-like protease CTRL-1 precursor 0.0032 0.0133 0.0258
Loa Loa (eye worm) hypothetical protein 0.0311 0.2075 0.4056
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.003 0.0117 0.1653
Schistosoma mansoni hypothetical protein 0.006 0.0324 0.0297
Echinococcus multilocularis Peptidase S1 S6, chymotrypsin Hap 0.0032 0.0133 0.0133
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0026 0.0092 0.5
Trypanosoma cruzi PAB1-binding protein , putative 0.0049 0.0252 0.4627
Loa Loa (eye worm) hypothetical protein 0.0169 0.1082 0.2115
Loa Loa (eye worm) hypothetical protein 0.0173 0.111 0.2169
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0084 0.0496 1
Onchocerca volvulus 0.0084 0.0496 0.2181
Echinococcus granulosus muscleblind protein 0.0311 0.2075 0.2075
Brugia malayi CXXC zinc finger family protein 0.0029 0.0113 0.022
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0026 0.0092 0.0351
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0054 0.0289 0.0563
Echinococcus granulosus puromycin sensitive aminopeptidase 0.003 0.0117 0.0117
Schistosoma mansoni cercarial elastase (S01 family) 0.0032 0.0133 0.0106
Loa Loa (eye worm) hypothetical protein 0.0169 0.1082 0.2115
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0084 0.0496 0.2439
Schistosoma mansoni hypothetical protein 0.006 0.0324 0.0297
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.0084 0.0496 0.0496
Loa Loa (eye worm) hypothetical protein 0.0173 0.111 0.2169
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0026 0.0092 0.3622
Echinococcus multilocularis microtubule associated protein 2 0.1451 1 1
Brugia malayi Trypsin family protein 0.0124 0.0771 0.1506
Brugia malayi jmjC domain containing protein 0.0044 0.0214 0.0417
Plasmodium falciparum ataxin-2 like protein, putative 0.0049 0.0252 1
Loa Loa (eye worm) hypothetical protein 0.0124 0.0771 0.1507
Schistosoma mansoni cercarial elastase (S01 family) 0.0032 0.0133 0.0106
Schistosoma mansoni cercarial elastase (S01 family) 0.0032 0.0133 0.0106
Onchocerca volvulus 0.0032 0.0133 0.0159
Echinococcus granulosus glycoprotein Antigen 5 0.0032 0.0133 0.0133
Loa Loa (eye worm) mbt repeat family protein 0.0053 0.0277 0.0539
Onchocerca volvulus 0.0053 0.0277 0.0957
Echinococcus multilocularis lamin 0.0028 0.0105 0.0105
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0152 0.076
Schistosoma mansoni hypothetical protein 0.032 0.2135 0.2113
Echinococcus granulosus expressed protein 0.0034 0.0144 0.0144
Echinococcus granulosus subfamily S1A unassigned peptidase S01 family 0.0032 0.0133 0.0133
Echinococcus multilocularis expressed protein 0.0034 0.0144 0.0144
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0111 0.0685 0.0685
Loa Loa (eye worm) intermediate filament protein 0.0028 0.0105 0.0203
Echinococcus multilocularis neuropeptide receptor A26 0.0464 0.3138 0.3138
Echinococcus multilocularis leukotriene A 4 hydrolase 0.003 0.0117 0.0117
Loa Loa (eye worm) hypothetical protein 0.0228 0.1496 0.2924
Echinococcus granulosus dnaJ subfamily B 0.0416 0.28 0.28
Schistosoma mansoni Tata binding protein associated factor (M01 family) 0.003 0.0117 0.0089
Loa Loa (eye worm) hypothetical protein 0.003 0.0117 0.0227
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0207 0.1353 0.1353
Echinococcus multilocularis peregrin 0.0035 0.0152 0.0152
Loa Loa (eye worm) transcription factor SMAD2 0.0128 0.0797 0.1557
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0084 0.0496 0.0496
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0056 0.0297 0.027
Entamoeba histolytica hypothetical protein 0.0111 0.0685 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0111 0.0685 0.0685
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0084 0.0496 0.0496
Brugia malayi hypothetical protein 0.0161 0.1033 0.2017
Loa Loa (eye worm) hypothetical protein 0.003 0.0117 0.0227
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0017 0.0028 0.0052
Echinococcus granulosus lysine specific demethylase 5A 0.0044 0.0214 0.0214
Echinococcus multilocularis L aminoadipate semialdehyde 0.0093 0.0557 0.0557
Schistosoma mansoni hypothetical protein 0.0022 0.0064 0.0036
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0019 0.0041 0.158
Loa Loa (eye worm) isocitrate dehydrogenase 0.0019 0.0041 0.0079
Schistosoma mansoni hypothetical protein 0.0035 0.0152 0.0124
Brugia malayi hypothetical protein 0.0111 0.0685 0.1338
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0032 0.0133 0.0106
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.0105 0.0203
Brugia malayi Bromodomain containing protein 0.0035 0.0152 0.0295
Loa Loa (eye worm) jmjC domain-containing protein 0.0044 0.0214 0.0417
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.003 0.0117 0.1653
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0093 0.0557 0.1087
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0032 0.0133 0.0106
Loa Loa (eye worm) hypothetical protein 0.0032 0.0133 0.0259
Loa Loa (eye worm) peptidase family M13 containing protein 0.0169 0.1082 0.2115
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0041 0.0041
Loa Loa (eye worm) hypothetical protein 0.0032 0.0133 0.0259
Echinococcus granulosus lamin dm0 0.0028 0.0105 0.0105
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0228 0.1496 0.1472
Onchocerca volvulus 0.0029 0.0113 0.0049
Echinococcus granulosus Solute carrier family 22 5 0.1071 0.7358 0.7358
Schistosoma mansoni jumonji/arid domain-containing protein 0.0044 0.0214 0.0187
Trichomonas vaginalis rotamase, putative 0.0034 0.0144 0.0174
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0019 0.0041 0.158
Schistosoma mansoni cpg binding protein 0.0031 0.0125 0.0098
Echinococcus multilocularis subfamily S1A unassigned peptidase (S01 family) 0.0032 0.0133 0.0133
Echinococcus multilocularis geminin 0.0181 0.1169 0.1169
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0019 0.0041 0.0014
Loa Loa (eye worm) hypothetical protein 0.0228 0.1496 0.2924
Echinococcus granulosus enteropeptidase 0.0032 0.0133 0.0133

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 2 nM Inhibitory activity on neutral endopeptidase (NEP) using DGNPA as substrate. ChEMBL. 10753476
Ki (binding) = 4.8 nM Inhibitory activity on aminopeptidase N (APN) using Ala-pNA as substrate. ChEMBL. 10753476
Ki (binding) = 2500 nM inhibitory activity on angiotensin I converting enzyme (ACE) using cbz-Phe-His-Leu as substrate. ChEMBL. 10753476

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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