Detailed information for compound 56618

Basic information

Technical information
  • TDR Targets ID: 56618
  • Name: 2-(diphenylphosphoryloxymethyl)-1,1-dioxo-1,2 -benzothiazol-3-one
  • MW: 413.384 | Formula: C20H16NO5PS
  • H donors: 0 H acceptors: 4 LogP: 3 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1c2ccccc2S(=O)(=O)N1COP(=O)(c1ccccc1)c1ccccc1
  • InChi: 1S/C20H16NO5PS/c22-20-18-13-7-8-14-19(18)28(24,25)21(20)15-26-27(23,16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14H,15H2
  • InChiKey: QQVOJMMJOFOZMN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(diphenylphosphoryloxymethyl)-1,1-diketo-1,2-benzothiazol-3-one
  • 2-[di(phenyl)phosphoryloxymethyl]-1,1-dioxo-1,2-benzothiazol-3-one
  • 2-[di(phenyl)phosphoryloxymethyl]-1,1-diketo-1,2-benzothiazol-3-one

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens elastase, neutrophil expressed 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
Echinococcus granulosus transmembrane protease serine 3 elastase, neutrophil expressed 267 aa 236 aa 27.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0048 0.0198 0.0286
Leishmania major puromycin-sensitive aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0025 0.0061 0.1124
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0281 0.0877
Onchocerca volvulus 0.0048 0.0198 0.0336
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.006 0.1108
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0041 0.0157 0.0738
Giardia lamblia Histone deacetylase 0.0041 0.0157 0.0738
Loa Loa (eye worm) hypothetical protein 0.0025 0.0061 0.0128
Loa Loa (eye worm) zinc metallopeptidase 4 0.0067 0.0316 0.067
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.007 0.0334 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.006 0.0127
Schistosoma mansoni intermediate filament proteins 0.0029 0.0081 0.0233
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0048 0.0198 0.5573
Echinococcus granulosus aminopeptidase N 0.0131 0.0705 0.1054
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0026 0.0055
Loa Loa (eye worm) hypothetical protein 0.0035 0.0119 0.0253
Trypanosoma brucei Aminopeptidase M1, putative 0.0048 0.0198 0.5573
Entamoeba histolytica hypothetical protein 0.0036 0.0126 0.0567
Echinococcus multilocularis lamin dm0 0.0029 0.0081 0.0073
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0053 0.0229 0.0487
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0025 0.0061 0.0195
Plasmodium falciparum histone acetyltransferase GCN5 0.0042 0.016 1
Schistosoma mansoni hypothetical protein 0.0072 0.0345 0.1082
Schistosoma mansoni integrin alpha-ps 0.0067 0.0315 0.0987
Onchocerca volvulus 0.0029 0.0081 0.0051
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0311 0.1801 1
Loa Loa (eye worm) hypothetical protein 0.0276 0.1587 0.3368
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0154 0.0846 0.2692
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.002 0.0026 0.003
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0067 0.1319
Echinococcus multilocularis leukotriene A 4 hydrolase 0.0139 0.0751 0.0743
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0139 0.0755 0.2399
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0026 0.0055
Echinococcus multilocularis ephrin type A receptor 4 A 0.0068 0.0319 0.0311
Echinococcus multilocularis histone deacetylase 1 0.0041 0.0157 0.0148
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.0025 0.0061 0.1124
Schistosoma mansoni hypothetical protein 0.0072 0.0345 0.1082
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.0139 0.0751 0.2387
Loa Loa (eye worm) integrin alpha pat-2 0.0231 0.1313 0.2786
Onchocerca volvulus Phospholipase A2 homolog 0.028 0.161 0.378
Brugia malayi peptidase family M13 containing protein 0.0067 0.0316 0.067
Onchocerca volvulus 0.0131 0.0705 0.1572
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0126 0.0118
Brugia malayi AMP-binding enzyme family protein 0.0025 0.006 0.0127
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.006 0.0248
Brugia malayi Peptidase family M1 containing protein 0.0131 0.0705 0.1496
Loa Loa (eye worm) hypothetical protein 0.0209 0.1178 0.2499
Trypanosoma brucei aminopeptidase, putative 0.0025 0.0061 0.1124
Brugia malayi MH2 domain containing protein 0.0124 0.0662 0.1405
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0025 0.0061 0.0079
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0045 0.0183 0.0883
Loa Loa (eye worm) hypothetical protein 0.0067 0.0315 0.0668
Loa Loa (eye worm) acetyltransferase 0.0154 0.0846 0.1794
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0025 0.0061 0.1124
Schistosoma mansoni hypothetical protein 0.0032 0.0102 0.0302
Loa Loa (eye worm) hypothetical protein 0.0025 0.0061 0.0128
Onchocerca volvulus 0.0067 0.0315 0.0621
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0048 0.0198 0.0968
Loa Loa (eye worm) MH2 domain-containing protein 0.0124 0.0662 0.1405
Loa Loa (eye worm) RNA binding protein 0.0062 0.0281 0.0597
Brugia malayi hypothetical protein 0.0036 0.0126 0.0268
Loa Loa (eye worm) hypothetical protein 0.0019 0.0021 0.0045
Schistosoma mansoni aminopeptidase A (M01 family) 0.0025 0.0061 0.0167
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.0048 0.0198 0.0608
Schistosoma mansoni hypothetical protein 0.0072 0.0345 0.1082
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0141 0.0768 0.1629
Loa Loa (eye worm) carboxylesterase 0.0066 0.0308 0.0653
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0152 0.0832 0.5195
Brugia malayi TAR-binding protein 0.0062 0.0281 0.0597
Loa Loa (eye worm) hypothetical protein 0.0023 0.0044 0.0092
Echinococcus multilocularis integrin alpha ps 0.0067 0.0315 0.0307
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0045 0.0183 0.1004
Loa Loa (eye worm) hypothetical protein 0.0083 0.041 0.0869
Schistosoma mansoni Tata binding protein associated factor (M01 family) 0.0025 0.0061 0.0167
Toxoplasma gondii peptidase family M13 protein 0.0276 0.1587 1
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0048 0.0198 0.0189
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0048 0.0198 0.0286
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0281 0.0877
Plasmodium falciparum M1-family alanyl aminopeptidase, putative 0.0025 0.0061 0.2842
Loa Loa (eye worm) hypothetical protein 0.0053 0.0229 0.0487
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0053 0.0229 0.0487
Brugia malayi histone deacetylase 1 (HD1) 0.0041 0.0157 0.0333
Brugia malayi Hypothetical zinc metalloproteinase T16A9.4 0.0276 0.1587 0.3368
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0048 0.0198 0.0189
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0023 0.0044 0.0035
Schistosoma mansoni ephrin receptor 0.0068 0.0319 0.1
Echinococcus multilocularis musashi 0.0029 0.0081 0.0073
Loa Loa (eye worm) intermediate filament protein 0.0029 0.0081 0.0172
Loa Loa (eye worm) hypothetical protein 0.0698 0.4162 0.883
Echinococcus multilocularis aminopeptidase N 0.0131 0.0705 0.0697
Loa Loa (eye worm) hypothetical protein 0.0023 0.0044 0.0092
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0045 0.0183 0.1004
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0126 0.0379
Plasmodium falciparum histone deacetylase 1 0.0041 0.0157 0.9801
Toxoplasma gondii aminopeptidase n, putative 0.0025 0.0061 0.0222
Giardia lamblia Fructose-bisphosphate aldolase 0.0311 0.1801 1
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.0025 0.0061 0.1124
Brugia malayi Carboxylesterase family protein 0.0066 0.0308 0.0653
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0311 0.1801 1
Brugia malayi TATA binding protein associated factor 0.0025 0.0061 0.0128
Schistosoma mansoni neprilysin 0.0072 0.0345 0.1082
Brugia malayi Integrin alpha pat-2 precursor 0.015 0.0819 0.1737
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0019 0.0021 0.5
Loa Loa (eye worm) hypothetical protein 0.0034 0.0114 0.0242
Mycobacterium ulcerans zinc metalloprotease 0.0276 0.1587 1
Loa Loa (eye worm) acetylcholinesterase 1 0.0066 0.0308 0.0653
Trypanosoma cruzi Aminopeptidase M1, putative 0.0048 0.0198 0.5573
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0041 0.0157 0.0738
Trichomonas vaginalis histone deacetylase, putative 0.0041 0.0157 0.0738
Plasmodium falciparum M1-family alanyl aminopeptidase 0.0025 0.0061 0.2842
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.007 0.0334 0.1047
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0311 0.1801 1
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.007 0.0334 0.0709
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0141 0.0768 0.1629
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0025 0.006 0.0248
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0026 0.0338
Schistosoma mansoni ap endonuclease 0.002 0.0026 0.0056
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0019 0.0021 0.004
Echinococcus multilocularis lamin 0.0029 0.0081 0.0073
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0048 0.0198 0.0189
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0281 0.0877
Brugia malayi Peptidase family M1 containing protein 0.0025 0.0061 0.0128
Onchocerca volvulus 0.0025 0.0061 0.0001
Loa Loa (eye worm) hypothetical protein 0.0209 0.1178 0.2499
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0.0026 0.5
Echinococcus multilocularis acetylcholinesterase 0.0066 0.0308 0.0299
Trypanosoma cruzi metallo-peptidase, Clan MA(E) Family M1 0.0023 0.0044 0.0574
Schistosoma mansoni ap endonuclease 0.002 0.0026 0.0056
Schistosoma mansoni hypothetical protein 0.0527 0.3118 1
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0067 0.0316 0.0988
Brugia malayi Phospholipase A2 family protein 0.0698 0.4162 0.883
Schistosoma mansoni histone deacetylase 0.0041 0.0157 0.0477
Loa Loa (eye worm) hypothetical protein 0.0019 0.0021 0.0045
Onchocerca volvulus Phospholipase A2 homolog 0.0698 0.4162 1
Brugia malayi histone deacetylase 3 (HD3) 0.0041 0.0157 0.0333
Trypanosoma cruzi aminopeptidase, putative 0.0025 0.0061 0.1124
Mycobacterium tuberculosis Probable zinc metalloprotease Zmp1 0.0276 0.1587 1
Echinococcus granulosus tar DNA binding protein 0.0062 0.0281 0.0413
Brugia malayi hypothetical protein 0.0026 0.0067 0.0141
Loa Loa (eye worm) hypothetical protein 0.0017 0.0009 0.0018
Loa Loa (eye worm) hypothetical protein 0.0025 0.006 0.0127
Echinococcus granulosus ephrin type A receptor 4 A 0.0068 0.0319 0.047
Echinococcus granulosus histone acetyltransferase KAT2B 0.015 0.0819 0.1227
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0152 0.0832 0.5053
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0154 0.0846 0.0838
Echinococcus multilocularis tar DNA binding protein 0.0062 0.0281 0.0273
Echinococcus granulosus lamin dm0 0.0029 0.0081 0.011
Loa Loa (eye worm) hypothetical protein 0.0066 0.0308 0.0653
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0276 0.1587 0.5078
Schistosoma mansoni lamin 0.0029 0.0081 0.0233
Loa Loa (eye worm) hypothetical protein 0.0025 0.0061 0.0128
Loa Loa (eye worm) peptidase family M13 containing protein 0.0204 0.1149 0.2437
Loa Loa (eye worm) hypothetical protein 0.0066 0.0308 0.0653
Loa Loa (eye worm) hypothetical protein 0.0029 0.0081 0.0172
Echinococcus granulosus histone deacetylase 1 0.0041 0.0157 0.0224
Echinococcus granulosus intermediate filament protein 0.0029 0.0081 0.011
Toxoplasma gondii aminopeptidase N protein 0.0025 0.0061 0.0222
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0017 0.0009 0.0018
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0141 0.0768 0.076
Toxoplasma gondii histone deacetylase HDAC3 0.0041 0.0157 0.0839
Entamoeba histolytica acetyltransferase, GNAT family 0.0042 0.016 0.0754
Brugia malayi Calcitonin receptor-like protein seb-1 0.0053 0.0229 0.0487
Leishmania major histone deacetylase, putative 0.0041 0.0157 0.4248
Echinococcus multilocularis integrin alpha 3 0.0115 0.0606 0.0598
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.0281 0.0597
Loa Loa (eye worm) hypothetical protein 0.0137 0.0739 0.1568
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0311 0.1801 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0281 0.0877
Trichomonas vaginalis histone deacetylase, putative 0.0041 0.0157 0.0738
Echinococcus granulosus integrin alpha ps 0.0032 0.0102 0.0142
Leishmania major hypothetical protein, conserved 0.0026 0.0067 0.1319
Mycobacterium leprae probable zinc metalloprotease 0.0276 0.1587 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.006 0.0248
Echinococcus granulosus endothelin converting enzyme 1 0.0276 0.1587 0.239
Loa Loa (eye worm) hypothetical protein 0.0028 0.0078 0.0165
Entamoeba histolytica hypothetical protein 0.0036 0.0126 0.0567
Loa Loa (eye worm) leukotriene A4 hydrolase 0.0139 0.0751 0.1593
Echinococcus multilocularis acetylcholinesterase 0.0066 0.0308 0.0299
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0281 0.0877
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0141 0.0768 0.1149
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0311 0.1801 1
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.007 0.0334 1
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.007 0.0334 1
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0152 0.0832 0.5175
Schistosoma mansoni integrin alpha 0.015 0.0819 0.2606
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.0048 0.0198 0.5573
Brugia malayi intermediate filament protein 0.0029 0.0081 0.0172
Echinococcus granulosus acetylcholinesterase 0.0066 0.0308 0.0453
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.006 0.1108
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0311 0.1801 1
Echinococcus granulosus lamin 0.0029 0.0081 0.011
Loa Loa (eye worm) hypothetical protein 0.0204 0.1149 0.2437
Schistosoma mansoni hypothetical protein 0.0072 0.0345 0.1082
Schistosoma mansoni family M13 non-peptidase homologue (M13 family) 0.0067 0.0316 0.0988
Echinococcus multilocularis carboxylesterase 5A 0.0066 0.0308 0.0299
Schistosoma mansoni hypothetical protein 0.0072 0.0345 0.1082
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0141 0.0768 0.2442
Mycobacterium ulcerans hypothetical protein 0.0025 0.006 0.0248
Entamoeba histolytica acyl-CoA synthetase, putative 0.0025 0.006 0.0192
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.0048 0.0198 0.0189
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0026 0.0017
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0025 0.006 0.0248
Loa Loa (eye worm) hypothetical protein 0.0032 0.0102 0.0217
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.0067 0.1319
Schistosoma mansoni family M13 non-peptidase homologue (M13 family) 0.0139 0.0755 0.2399
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0048 0.0198 0.0286
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0041 0.0157 0.0738
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0139 0.0755 0.2399
Brugia malayi Angiotensin-converting enzyme family protein 0.0789 0.4713 1
Brugia malayi acetyltransferase, GNAT family protein 0.0154 0.0846 0.1794
Entamoeba histolytica acyl-CoA synthetase, putative 0.0025 0.006 0.0192
Echinococcus multilocularis geminin 0.0527 0.3118 0.3112
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0026 0.0026
Loa Loa (eye worm) hypothetical protein 0.0041 0.0157 0.0333
Loa Loa (eye worm) hypothetical protein 0.0113 0.0597 0.1266
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0025 0.0061 0.1124
Plasmodium vivax histone deacetylase 1, putative 0.0041 0.0157 0.8403
Treponema pallidum fructose-bisphosphate aldolase 0.0311 0.1801 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0021 0.0045
Toxoplasma gondii histone deacetylase HDAC2 0.0041 0.0157 0.0839
Brugia malayi Peptidase family M1 containing protein 0.0048 0.0198 0.0419
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0025 0.006 0.0287
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0048 0.0198 0.0189
Brugia malayi hypothetical protein 0.0113 0.0597 0.1266
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.007 0.0334 0.0709
Loa Loa (eye worm) TAR-binding protein 0.0062 0.0281 0.0597
Echinococcus granulosus integrin alpha 3 0.0115 0.0606 0.0904
Echinococcus multilocularis integrin alpha ps 0.0067 0.0315 0.0307
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0141 0.0768 0.2442
Entamoeba histolytica histone deacetylase, putative 0.0041 0.0157 0.0738
Loa Loa (eye worm) peptidase family M13 containing protein 0.0204 0.1149 0.2437
Toxoplasma gondii aminopeptidase N, putative 0.0025 0.0061 0.0222
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0025 0.0061 0.2437
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0311 0.1801 1
Brugia malayi Peptidase family M13 containing protein 0.0276 0.1587 0.3368
Loa Loa (eye worm) hypothetical protein 0.0083 0.0414 0.0877
Echinococcus multilocularis histone deacetylase 3 0.0041 0.0157 0.0148
Brugia malayi AMP-binding enzyme family protein 0.0025 0.006 0.0127
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0141 0.0768 0.1149
Loa Loa (eye worm) TK/EPH protein kinase 0.0086 0.0431 0.0915
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0025 0.0061 0.0079
Loa Loa (eye worm) histone deacetylase 1 0.0041 0.0157 0.0333
Brugia malayi Histone deacetylase 1 0.0041 0.0157 0.0333
Loa Loa (eye worm) hypothetical protein 0.0019 0.0021 0.0045
Brugia malayi Integrin alpha cytoplasmic region family protein 0.0113 0.0597 0.1266
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0025 0.006 0.0248
Echinococcus granulosus histone deacetylase 3 0.0041 0.0157 0.0224
Loa Loa (eye worm) hypothetical protein 0.0276 0.1587 0.3368
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0067 0.3276
Loa Loa (eye worm) hypothetical protein 0.0204 0.1149 0.2437
Onchocerca volvulus 0.0029 0.0081 0.0051
Trypanosoma cruzi metallo-peptidase, Clan MA(E) Family M1 0.0025 0.0061 0.1124
Echinococcus multilocularis transcription factor Dp 1 0.0041 0.0154 0.0146
Loa Loa (eye worm) angiotensin-converting enzyme family protein 0.0789 0.4713 1
Loa Loa (eye worm) histone deacetylase 3 0.0041 0.0157 0.0333
Echinococcus multilocularis endothelin converting enzyme 1 0.0276 0.1587 0.158
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.002 0.0026 0.007
Loa Loa (eye worm) hypothetical protein 0.0019 0.0021 0.0045
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.0067 0.2809
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0141 0.0768 0.2442
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0067 0.3276
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.0067 0.026
Schistosoma mansoni histone deacetylase 0.0041 0.0157 0.0477
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0026 0.029
Schistosoma mansoni endothelin-converting enzyme-related 0.0067 0.0316 0.0988
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0025 0.006 0.0248
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.007 0.0334 0.0493
Echinococcus granulosus histone acetyltransferase KAT2B 0.0045 0.0183 0.0263
Loa Loa (eye worm) TATA binding protein associated factor 0.0025 0.0061 0.0128
Entamoeba histolytica hypothetical protein 0.0036 0.0126 0.0567
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0045 0.0183 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0067 0.0141
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0029 0.0081 0.0172
Brugia malayi Intermediate filament tail domain containing protein 0.0029 0.0081 0.0172
Loa Loa (eye worm) hypothetical protein 0.0118 0.0623 0.1321
Echinococcus granulosus transcription factor Dp 1 0.0041 0.0154 0.022
Schistosoma mansoni family M1 non-peptidase homologue (M01 family) 0.0023 0.0044 0.0112
Loa Loa (eye worm) hypothetical protein 0.0209 0.1178 0.2499
Echinococcus granulosus geminin 0.0527 0.3118 0.4706
Loa Loa (eye worm) hypothetical protein 0.0025 0.006 0.0127
Brugia malayi Carboxylesterase family protein 0.0066 0.0308 0.0653
Loa Loa (eye worm) hypothetical protein 0.0276 0.1587 0.3368
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.006 0.1108
Schistosoma mansoni endothelin-converting enzyme-like 1 (damage-induced neuronal endopeptidase) 0.0067 0.0316 0.0988
Trichomonas vaginalis bromodomain-containing protein, putative 0.0045 0.0183 0.0883
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0067 0.0316 0.0988
Mycobacterium ulcerans aminopeptidase N PepN 0.0048 0.0198 0.1127
Echinococcus granulosus leukotriene A 4 hydrolase 0.0139 0.0751 0.1123
Echinococcus granulosus Solute carrier family 22 5 0.1101 0.6615 1
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0055 0.0243 0.0754
Trypanosoma cruzi histone deacetylase 1, putative 0.0041 0.0157 0.4248
Loa Loa (eye worm) hypothetical protein 0.0204 0.1149 0.2437
Trypanosoma brucei histone deacetylase 1 0.0041 0.0157 0.4248
Loa Loa (eye worm) hypothetical protein 0.0204 0.1149 0.2437
Brugia malayi Latrophilin receptor protein 2 0.0017 0.0009 0.0018
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0067 0.0316 0.0988
Schistosoma mansoni lamin 0.0029 0.0081 0.0233
Loa Loa (eye worm) hypothetical protein 0.028 0.161 0.3417
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0072 0.0345 0.1082
Brugia malayi ephrin receptor 1 precursor 0.0032 0.0103 0.0219
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0067 0.1319
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.007 0.0334 0.0326
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0025 0.0061 0.2437
Trichomonas vaginalis histone deacetylase, putative 0.0041 0.0157 0.0738
Echinococcus multilocularis integrin alpha ps 0.0032 0.0102 0.0094
Trichomonas vaginalis histone deacetylase, putative 0.0041 0.0157 0.0738
Echinococcus granulosus acetylcholinesterase 0.0066 0.0308 0.0453
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.0281 0.0597
Loa Loa (eye worm) hypothetical protein 0.0036 0.0127 0.027
Loa Loa (eye worm) transcription factor SMAD2 0.0124 0.0662 0.1405
Schistosoma mansoni hypothetical protein 0.0527 0.3118 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0311 0.1801 1
Loa Loa (eye worm) peptidase family M1 containing protein 0.0109 0.0568 0.1204
Schistosoma mansoni hypothetical protein 0.0072 0.0345 0.1082
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0048 0.0198 0.0189
Giardia lamblia Histone acetyltransferase GCN5 0.0042 0.016 0.0754
Entamoeba histolytica aminopeptidase, putative 0.0048 0.0198 0.0968
Onchocerca volvulus 0.0137 0.0739 0.1656
Entamoeba histolytica acyl-coA synthetase, putative 0.0025 0.006 0.0192
Brugia malayi hypothetical protein 0.0048 0.0198 0.0419
Mycobacterium ulcerans aminopeptidase N PepN 0.0025 0.0061 0.0251
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0126 0.0178
Leishmania major histone deacetylase, putative 0.0041 0.0157 0.4248
Loa Loa (eye worm) hypothetical protein 0.0209 0.1178 0.2499
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.006 0.0248
Loa Loa (eye worm) aminopeptidase N 0.0048 0.0198 0.0419
Echinococcus granulosus integrin alpha ps 0.0067 0.0315 0.0464
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0048 0.0198 0.5573
Brugia malayi hypothetical protein 0.0025 0.0061 0.0128
Echinococcus granulosus carboxylesterase 5A 0.0066 0.0308 0.0453
Loa Loa (eye worm) hypothetical protein 0.0209 0.1178 0.2499
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.007 0.0334 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0311 0.1801 1
Trypanosoma cruzi aminopeptidase, putative 0.0048 0.0198 0.5573
Loa Loa (eye worm) latrophilin receptor protein 2 0.0017 0.0009 0.0018
Entamoeba histolytica hypothetical protein 0.0036 0.0126 0.0567
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0048 0.0198 0.5573
Trypanosoma cruzi histone deacetylase 1, putative 0.0041 0.0157 0.4248
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0048 0.0198 0.0286
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.007 0.0334 0.1737
Schistosoma mansoni Nep2 peptidase (M13 family) 0.0139 0.0755 0.2399
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.0127 0.027
Loa Loa (eye worm) hypothetical protein 0.0209 0.1178 0.2499
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0066 0.0308 0.0962
Schistosoma mansoni neprilysin-2 (M13 family) 0.0139 0.0755 0.2399
Trichomonas vaginalis histone deacetylase, putative 0.0041 0.0157 0.0738
Schistosoma mansoni integrin alpha-ps 0.0035 0.0119 0.0356
Trypanosoma brucei Aminopeptidase M1, putative 0.0048 0.0198 0.5573
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0048 0.0198 0.0968
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0141 0.0768 0.076
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0311 0.1801 1
Brugia malayi hypothetical protein 0.0017 0.001 0.0021
Brugia malayi RNA binding protein 0.0062 0.0281 0.0597
Loa Loa (eye worm) hypothetical protein 0.0106 0.0551 0.1169
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0025 0.006 0.0287
Trichomonas vaginalis histone deacetylase, putative 0.0041 0.0157 0.0738
Schistosoma mansoni hypothetical protein 0.0036 0.0126 0.0379
Schistosoma mansoni hypothetical protein 0.0036 0.0127 0.0382
Brugia malayi AMP-binding enzyme family protein 0.0025 0.006 0.0127

Activities

Activity type Activity value Assay description Source Reference
K inact (binding) = 1900 M-1 s-1 Inhibitory activity against Human leukocyte elastase as kinetic constant for inhibition (inactivation) ChEMBL. 7739015
K inact (binding) = 1900 M-1 s-1 Inhibitory activity against Human leukocyte elastase as kinetic constant for inhibition (inactivation) ChEMBL. 7739015
Ki (binding) = 30 nM Inhibitory activity against Human leukocyte elastase was determined ChEMBL. 7739015
Ki (binding) = 30 nM Inhibitory activity against Human leukocyte elastase was determined ChEMBL. 7739015
pKa (ADMET) = 3.34 Acid dissociation constant was determined ChEMBL. 7739015

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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