Detailed information for compound 82133

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 455.911 | Formula: C23H18ClNO5S
  • H donors: 1 H acceptors: 5 LogP: 4.36 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)c1ccc(cc1)S(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)C(=O)O
  • InChi: 1S/C23H18ClNO5S/c24-19-9-5-15(6-10-19)16-7-11-20(12-8-16)31(29,30)25-14-18-4-2-1-3-17(18)13-21(25)22(26)23(27)28/h1-12,21H,13-14H2,(H,27,28)/t21-/m1/s1
  • InChiKey: ZOJMJLMSZDGBHC-OAQYLSRUSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens matrix metallopeptidase 3 (stromelysin 1, progelatinase) Starlite/ChEMBL References
Homo sapiens matrix metallopeptidase 8 (neutrophil collagenase) 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 matrix metallopeptidase 7 M10 family matrix metallopeptidase 3 (stromelysin 1, progelatinase) 477 aa 431 aa 34.6 %
Echinococcus granulosus matrix metallopeptidase 7 M10 family matrix metallopeptidase 8 (neutrophil collagenase) 467 aa 467 aa 33.4 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0036 0.0079 0.0262
Brugia malayi phosphofructokinase 0.0122 0.0402 0.0593
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0566 0.2087 0.2166
Echinococcus multilocularis inhibitor of apoptosis protein 0.0083 0.0255 0.0264
Loa Loa (eye worm) aspartyl aminopeptidase 0.007 0.0206 0.0213
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0036 0.0079 0.0288
Schistosoma mansoni phosphoglucomutase 0.0114 0.0374 0.0387
Plasmodium vivax glutathione reductase, putative 0.0105 0.034 0.0339
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0392 0.1427 0.6809
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.0033 0.0065 0.022
Echinococcus multilocularis flap endonuclease 1 0.0029 0.0051 0.0052
Brugia malayi Pre-SET motif family protein 0.023 0.0814 0.1202
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0036 0.0079 0.0288
Toxoplasma gondii PAN domain-containing protein 0.0016 0.0001 0.0001
Brugia malayi Matrixin family protein 0.0072 0.0214 0.0315
Trypanosoma brucei pyroglutamyl-peptidase I, putative 0.0481 0.1767 0.8453
Loa Loa (eye worm) phosphofructokinase 0.0122 0.0402 0.0417
Loa Loa (eye worm) hypothetical protein 0.0028 0.0047 0.0048
Echinococcus granulosus caspase 2 0.0063 0.018 0.0185
Trichomonas vaginalis phosphofructokinase, putative 0.0033 0.0065 0.0222
Echinococcus multilocularis expressed conserved protein 0.0047 0.0118 0.0122
Trypanosoma cruzi metallo-peptidase, Clan MA(E) Family M1 0.0174 0.06 0.2809
Plasmodium vivax M18 aspartyl aminopeptidase, putative 0.007 0.0206 0.0205
Giardia lamblia Flap structure-specific endonuclease 0.0029 0.0051 0.0893
Echinococcus granulosus flap endonuclease 1 0.0029 0.0051 0.0052
Brugia malayi Protein kinase domain containing protein 0.0016 0.0001 0.0001
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.0033 0.0065 0.022
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0066 0.0067
Loa Loa (eye worm) hypothetical protein 0.0063 0.018 0.0186
Wolbachia endosymbiont of Brugia malayi leucyl aminopeptidase 0.0618 0.2286 1
Loa Loa (eye worm) POT family protein 0.0046 0.0114 0.0117
Schistosoma mansoni lamin 0.003 0.0053 0.0054
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0036 0.0079 0.0078
Mycobacterium ulcerans aminopeptidase N PepN 0.0566 0.2087 0.9122
Plasmodium vivax 6-phosphofructokinase, putative 0.0033 0.0065 0.0064
Loa Loa (eye worm) aminopeptidase N 0.0566 0.2087 0.2166
Loa Loa (eye worm) hypothetical protein 0.0174 0.06 0.0622
Onchocerca volvulus Matrilysin homolog 0.016 0.0548 0.1312
Leishmania major ribonuclease H1, putative 0.0114 0.0374 0.1718
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0033 0.0066 0.0066
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0036 0.0079 0.0262
Echinococcus granulosus ankyrin repeat domain containing protein 17 0.0092 0.029 0.03
Echinococcus granulosus aminopeptidase N 0.1115 0.417 0.433
Trichomonas vaginalis phosphofructokinase, putative 0.0122 0.0402 0.1853
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0566 0.2087 0.2166
Trypanosoma cruzi trypanothione reductase, putative 0.0036 0.0079 0.0288
Loa Loa (eye worm) hypothetical protein 0.0723 0.2683 0.2786
Leishmania major puromycin-sensitive aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0392 0.1427 0.6809
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0021 0.0019 0.0019
Loa Loa (eye worm) hypothetical protein 0.0029 0.0051 0.0053
Loa Loa (eye worm) hypothetical protein 0.0355 0.1289 0.1338
Brugia malayi exodeoxyribonuclease III family protein 0.0021 0.0019 0.0027
Trichomonas vaginalis DNA helicase recq1, putative 0.0024 0.003 0.0051
Brugia malayi Matrixin family protein 0.0072 0.0214 0.0315
Onchocerca volvulus 0.003 0.0053 0.0127
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0066 0.0067
Loa Loa (eye worm) matrixin family protein 0.0174 0.0602 0.0625
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0029 0.0051 0.0153
Trichomonas vaginalis ribonuclease H1, putative 0.0114 0.0374 0.1718
Trypanosoma cruzi metallo-peptidase, Clan MF, Family M17 0.0092 0.029 0.131
Loa Loa (eye worm) hypothetical protein 0.0016 0.0002 0.0001
Echinococcus multilocularis leucyl aminopeptidase 0.0092 0.029 0.03
Echinococcus multilocularis lamin dm0 0.003 0.0053 0.0054
Trichomonas vaginalis mercuric reductase, putative 0.0036 0.0079 0.0288
Loa Loa (eye worm) 6-phosphofructokinase 0.0122 0.0402 0.0417
Onchocerca volvulus 0.0083 0.0255 0.061
Trypanosoma cruzi metallo-peptidase, Clan MH, Family M20 0.007 0.0206 0.0903
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0036 0.0079 0.0288
Echinococcus multilocularis leucine aminopeptidase protein 0.0618 0.2286 0.2373
Loa Loa (eye worm) hypothetical protein 0.0088 0.0274 0.0284
Echinococcus multilocularis bloom syndrome protein 0.0024 0.003 0.003
Echinococcus multilocularis Ankyrin 0.0016 0.0002 0.0001
Onchocerca volvulus Matrilysin homolog 0.0072 0.0214 0.0512
Toxoplasma gondii microneme protein MIC17B 0.0016 0.0001 0.0001
Brugia malayi hypothetical protein 0.004 0.0093 0.0136
Trypanosoma cruzi ribonuclease H1, putative 0.0114 0.0374 0.1718
Schistosoma mansoni aminopeptidase A (M01 family) 0.0392 0.1427 0.1481
Mycobacterium tuberculosis Probable oxidoreductase 0.0267 0.0954 0.4123
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0027 0.0042 0.0061
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.0566 0.2087 1
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0566 0.2087 0.2166
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0036 0.0079 0.0262
Echinococcus multilocularis lamin 0.003 0.0053 0.0054
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0036 0.0079 0.0262
Brugia malayi Inhibitor of Apoptosis domain containing protein 0.0083 0.0255 0.0376
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0033 0.0066 0.0067
Loa Loa (eye worm) TK/ROR protein kinase 0.0058 0.0159 0.0164
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0033 0.0065 0.0046
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.024 0.0852 0.3674
Toxoplasma gondii NADPH-glutathione reductase 0.0036 0.0079 0.0079
Brugia malayi hypothetical protein 0.18 0.6772 1
Toxoplasma gondii ribonuclease HI protein 0.0114 0.0374 0.0374
Giardia lamblia Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit 0.0033 0.0065 0.1291
Trypanosoma brucei unspecified product 0.0124 0.0411 0.1896
Trichomonas vaginalis phosphofructokinase, putative 0.0033 0.0065 0.0222
Schistosoma mansoni phosphoglucomutase 0.0114 0.0374 0.0387
Onchocerca volvulus 0.1115 0.417 1
Mycobacterium tuberculosis Probable aminopeptidase PepC 0.007 0.0206 0.0823
Leishmania major hypothetical protein, conserved 0.0028 0.0047 0.0136
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0036 0.0079 0.006
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0566 0.2087 1
Echinococcus granulosus 6 phosphofructokinase 0.0122 0.0402 0.0417
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0029 0.0051 0.0051
Brugia malayi Matrixin family protein 0.0174 0.0602 0.0888
Brugia malayi Uncoordinated protein 44 0.0016 0.0001 0.0001
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0036 0.0079 0.0288
Trypanosoma brucei metallo-peptidase, Clan MF, Family M17 0.0463 0.1696 0.811
Entamoeba histolytica hypothetical protein 0.004 0.0093 0.0358
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0047 0.0136
Echinococcus granulosus nuclear factor of activated T cells 5 0.0082 0.0253 0.0262
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MF, Family M17 0.0092 0.029 0.131
Onchocerca volvulus Cell death protein 3 homolog 0.0063 0.018 0.043
Trypanosoma cruzi metallo-peptidase, Clan MF, Family M17, putative 0.0463 0.1696 0.811
Leishmania major cytosolic leucyl aminopeptidase,metallo-peptidase, Clan MF, Family M17 0.0463 0.1696 0.811
Brugia malayi RNase H family protein 0.0114 0.0374 0.0552
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0566 0.2087 1
Echinococcus multilocularis baculoviral IAP repeat containing protein 0.0083 0.0255 0.0264
Entamoeba histolytica phosphofructokinase, putative 0.0122 0.0402 0.1853
Schistosoma mansoni hypothetical protein 0.0429 0.1568 0.1628
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0566 0.2087 0.2166
Onchocerca volvulus Ribonuclease H1 homolog 0.0114 0.0374 0.0896
Entamoeba histolytica phosphofructokinase, putative 0.0122 0.0402 0.1853
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0566 0.2087 0.2166
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0392 0.1427 0.6809
Trypanosoma brucei retrotransposon hot spot protein 4 (RHS4), interrupted 0.0124 0.0411 0.1896
Schistosoma mansoni intermediate filament proteins 0.003 0.0053 0.0054
Brugia malayi intermediate filament protein 0.003 0.0053 0.0078
Mycobacterium ulcerans 6-phosphofructokinase 0.0122 0.0402 0.169
Onchocerca volvulus 0.0072 0.0214 0.0512
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0065 0.022
Schistosoma mansoni retinoblastoma-binding protein 4 (rbbp4) 0.0016 0.0002 0.0001
Echinococcus granulosus leucyl aminopeptidase 0.0092 0.029 0.03
Echinococcus granulosus lamin 0.003 0.0053 0.0054
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.003 0.0053 0.0055
Loa Loa (eye worm) matrix metalloproteinase 0.0072 0.0214 0.0222
Echinococcus granulosus lamin dm0 0.003 0.0053 0.0054
Schistosoma mansoni aspartyl aminopeptidase (M18 family) 0.007 0.0206 0.0212
Schistosoma mansoni Tata binding protein associated factor (M01 family) 0.0392 0.1427 0.1481
Onchocerca volvulus Netrin receptor homolog 0.0016 0.0001 0.0001
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0566 0.2087 0.2166
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.004 0.0093 0.0095
Leishmania major pyroglutamyl-peptidase I (C15 family) 0.0481 0.1767 0.8453
Loa Loa (eye worm) hypothetical protein 0.007 0.0206 0.0213
Entamoeba histolytica Flap nuclease, putative 0.0029 0.0051 0.0153
Onchocerca volvulus 0.0392 0.1427 0.3421
Entamoeba histolytica phosphofructokinase, putative 0.0122 0.0402 0.1853
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0047 0.0028
Loa Loa (eye worm) aminopeptidase in chromosome V 0.0092 0.029 0.0301
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0566 0.2087 0.2166
Treponema pallidum NADH oxidase 0.0036 0.0079 0.1553
Brugia malayi hypothetical protein 0.0063 0.018 0.0264
Trypanosoma brucei aminopeptidase, putative 0.0392 0.1427 0.6809
Onchocerca volvulus Deterin homolog 0.0083 0.0255 0.061
Schistosoma mansoni flap endonuclease-1 0.0026 0.004 0.004
Plasmodium falciparum M1-family alanyl aminopeptidase, putative 0.0392 0.1427 0.1411
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0566 0.2087 0.2166
Echinococcus granulosus Ankyrin 0.0016 0.0002 0.0001
Schistosoma mansoni aspartyl aminopeptidase (M18 family) 0.007 0.0206 0.0212
Brugia malayi glutathione reductase 0.0105 0.034 0.0501
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0019 0.0018
Toxoplasma gondii microneme protein MIC17C 0.0016 0.0001 0.0001
Trichomonas vaginalis set domain proteins, putative 0.0262 0.0935 0.4431
Trypanosoma brucei ribonuclease H1 0.0114 0.0374 0.1718
Trypanosoma cruzi trypanothione reductase, putative 0.0105 0.034 0.1551
Trypanosoma cruzi hypothetical protein, conserved 0.0058 0.0159 0.0675
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0033 0.0065 0.0046
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0262 0.0936 0.0971
Toxoplasma gondii aminopeptidase N protein 0.2651 1 1
Trichomonas vaginalis phosphofructokinase, putative 0.0033 0.0065 0.0222
Brugia malayi 6-phosphofructokinase 0.0122 0.0402 0.0593
Trichomonas vaginalis phosphofructokinase, putative 0.0122 0.0402 0.1853
Toxoplasma gondii subtilisin SUB12 0.0016 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.0549 0.2023 0.2101
Loa Loa (eye worm) thioredoxin reductase 0.0105 0.034 0.0352
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.024 0.0852 0.3674
Onchocerca volvulus 0.0033 0.0066 0.0156
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0065 0.022
Brugia malayi hypothetical protein 0.0028 0.0047 0.0069
Trypanosoma brucei aspartyl aminopeptidase, putative 0.007 0.0206 0.0903
Trypanosoma cruzi pyroglutamyl-peptidase I, putative 0.0481 0.1767 0.8453
Trichomonas vaginalis 6-phosphofructokinase, putative 0.0033 0.0065 0.0222
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0033 0.0066 0.0067
Toxoplasma gondii PAN domain-containing protein 0.0016 0.0001 0.0001
Toxoplasma gondii phosphofructokinase PFKII 0.0033 0.0065 0.0065
Schistosoma mansoni hypothetical protein 0.0057 0.0157 0.0162
Echinococcus multilocularis tissue type plasminogen activator 0.0058 0.0159 0.0163
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0036 0.0079 0.006
Toxoplasma gondii PAN domain-containing protein 0.0016 0.0001 0.0001
Schistosoma mansoni ap endonuclease 0.0021 0.0019 0.0019
Toxoplasma gondii PAN/Apple domain-containing protein 0.0016 0.0001 0.0001
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0047 0.0028
Brugia malayi Bloom's syndrome protein homolog 0.0024 0.003 0.0043
Echinococcus multilocularis apoptotic protease activating factor 1 0.0063 0.018 0.0185
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0033 0.0065 0.1197
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0036 0.0079 0.0288
Brugia malayi Death domain containing protein 0.0016 0.0001 0.0001
Trypanosoma brucei hypothetical protein, conserved 0.0124 0.0411 0.1896
Plasmodium falciparum M17 leucyl aminopeptidase 0.0463 0.1696 0.168
Brugia malayi RNase H family protein 0.0114 0.0374 0.0552
Trypanosoma cruzi metallo-peptidase, Clan MF, Family M17 0.0092 0.029 0.131
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0122 0.0402 0.1853
Loa Loa (eye worm) hypothetical protein 0.0058 0.0159 0.0164
Echinococcus multilocularis leucyl aminopeptidase 0.0092 0.029 0.03
Schistosoma mansoni hypothetical protein 0.0058 0.0159 0.0163
Trichomonas vaginalis phosphofructokinase, putative 0.0122 0.0402 0.1853
Trypanosoma brucei RNA helicase, putative 0.0429 0.1568 0.7493
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.023 0.0814 0.0845
Toxoplasma gondii aminopeptidase N, putative 0.2651 1 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0012 0.0011
Mycobacterium tuberculosis Probable reductase 0.024 0.0852 0.3674
Onchocerca volvulus 0.0063 0.018 0.043
Trypanosoma brucei Aminopeptidase M1, putative 0.0566 0.2087 1
Trypanosoma cruzi ribonuclease H1, putative 0.0114 0.0374 0.1718
Trypanosoma brucei Aminopeptidase M1, putative 0.0566 0.2087 1
Entamoeba histolytica hypothetical protein 0.004 0.0093 0.0358
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0033 0.0066 0.0067
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0036 0.0079 0.0288
Entamoeba histolytica aminopeptidase, putative 0.007 0.0206 0.0903
Loa Loa (eye worm) hypothetical protein 0.0072 0.0214 0.0222
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0174 0.06 0.0622
Loa Loa (eye worm) 6-phosphofructokinase 0.0122 0.0402 0.0417
Plasmodium falciparum thioredoxin reductase 0.0105 0.034 0.0322
Plasmodium vivax flap endonuclease 1, putative 0.0029 0.0051 0.005
Trichomonas vaginalis phosphofructokinase, putative 0.0122 0.0402 0.1853
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.0262 0.0936 0.0971
Trichomonas vaginalis glutathione reductase, putative 0.0036 0.0079 0.0288
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0036 0.0079 0.008
Schistosoma mansoni blooms syndrome DNA helicase 0.0019 0.0011 0.001
Loa Loa (eye worm) TATA binding protein associated factor 0.0392 0.1427 0.1481
Brugia malayi 6-phosphofructokinase 0.0122 0.0402 0.0593
Echinococcus granulosus bloom syndrome protein 0.0024 0.003 0.003
Schistosoma mansoni hypothetical protein 0.0063 0.018 0.0185
Brugia malayi Immunoglobulin I-set domain containing protein 0.0016 0.0001 0.0001
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0027 0.0042 0.0061
Brugia malayi Aminopeptidase ZK353.6 in chromosome III 0.0092 0.029 0.0427
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0122 0.0402 0.0945
Brugia malayi Matrixin family protein 0.0072 0.0214 0.0315
Echinococcus multilocularis leukotriene A 4 hydrolase 0.2553 0.9629 1
Toxoplasma gondii PAN domain-containing protein 0.0016 0.0001 0.0001
Toxoplasma gondii LsmAD domain-containing protein 0.0028 0.0047 0.0047
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.007 0.0206 0.0903
Toxoplasma gondii microneme protein MIC17A 0.0016 0.0001 0.0001
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0392 0.1427 0.6809
Leishmania major hypothetical protein, conserved 0.0058 0.0159 0.0675
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0047 0.0136
Loa Loa (eye worm) hypothetical protein 0.0392 0.1427 0.1481
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.024 0.0852 0.3674
Schistosoma mansoni hypothetical protein 0.0102 0.0328 0.034
Schistosoma mansoni 6-phosphofructokinase 0.0122 0.0402 0.0417
Loa Loa (eye worm) hypothetical protein 0.0063 0.018 0.0186
Toxoplasma gondii phosphofructokinase domain-containing protein 0.0033 0.0065 0.0065
Loa Loa (eye worm) hypothetical protein 0.0174 0.06 0.0622
Schistosoma mansoni inhibitor of apoptosis (iap) domain family member 0.0083 0.0255 0.0264
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MF, Family M17 0.0092 0.029 0.131
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0392 0.1427 0.1481
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.004 0.0093 0.0095
Echinococcus granulosus leukotriene A 4 hydrolase 0.2553 0.9629 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0033 0.0066 0.0067
Schistosoma mansoni family M1 non-peptidase homologue (M01 family) 0.0174 0.06 0.0622
Loa Loa (eye worm) hypothetical protein 0.0392 0.1427 0.1481
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0036 0.0079 0.0061
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0036 0.0079 0.0079
Toxoplasma gondii microneme protein, putative 0.0016 0.0001 0.0001
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0392 0.1427 0.1481
Loa Loa (eye worm) aminopeptidase in chromosome III 0.0092 0.029 0.0301
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0122 0.0402 0.1853
Loa Loa (eye worm) hypothetical protein 0.003 0.0053 0.0055
Echinococcus granulosus baculoviral IAP repeat containing protein 0.0083 0.0255 0.0264
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0082 0.0253 0.0262
Echinococcus granulosus leucyl aminopeptidase 0.0092 0.029 0.03
Giardia lamblia Ribonuclease H 0.0114 0.0374 1
Schistosoma mansoni caspase-7 (C14 family) 0.0063 0.018 0.0185
Echinococcus multilocularis caspase 2 0.0063 0.018 0.0185
Wolbachia endosymbiont of Brugia malayi ribonuclease HI 0.0114 0.0374 0.1567
Toxoplasma gondii PAN domain-containing protein 0.0016 0.0001 0.0001
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0036 0.0079 0.0288
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.0033 0.0065 0.022
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0036 0.0079 0.008
Schistosoma mansoni hypothetical protein 0.0083 0.0255 0.0264
Brugia malayi Matrixin family protein 0.0072 0.0214 0.0315
Echinococcus multilocularis aspartyl aminopeptidase 0.007 0.0206 0.0212
Echinococcus granulosus thioredoxin glutathione reductase 0.0105 0.034 0.0352
Plasmodium falciparum glutathione reductase 0.0036 0.0079 0.006
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0267 0.0954 0.4123
Brugia malayi Flap endonuclease-1 0.0029 0.0051 0.0074
Entamoeba histolytica pyrophosphate-dependent phosphofructokinase 0.0033 0.0065 0.0222
Brugia malayi Peptidase family M1 containing protein 0.0392 0.1427 0.2106
Echinococcus multilocularis ankyrin repeat and death domain containing protein 0.0016 0.0001 0.0000000091368
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0065 0.022
Trichomonas vaginalis phosphofructokinase, putative 0.0033 0.0065 0.0222
Plasmodium falciparum thioredoxin reductase 0.0036 0.0079 0.006
Treponema pallidum ribonuclease H (rnhA) 0.0114 0.0374 0.927
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0016 0.0001 0.0001
Trypanosoma cruzi Cysteine peptidase, Clan CF, family C15 0.0481 0.1767 0.8453
Mycobacterium leprae Probable cytosol aminopeptidase PepB 0.0618 0.2286 1
Brugia malayi hypothetical protein 0.0566 0.2087 0.3081
Trypanosoma brucei trypanothione reductase 0.0105 0.034 0.1551
Trichomonas vaginalis phosphofructokinase, putative 0.0033 0.0065 0.0222
Brugia malayi Intermediate filament tail domain containing protein 0.003 0.0053 0.0078
Echinococcus granulosus intermediate filament protein 0.003 0.0053 0.0054
Brugia malayi Kringle domain containing protein 0.0058 0.0159 0.0233
Loa Loa (eye worm) hypothetical protein 0.0072 0.0214 0.0222
Plasmodium falciparum flap endonuclease 1 0.0029 0.0051 0.0032
Trypanosoma cruzi aminopeptidase, putative 0.0392 0.1427 0.6809
Trypanosoma brucei ingi protein (ORF1) 0.0124 0.0411 0.1896
Mycobacterium ulcerans hydrolase 0.0088 0.0274 0.1123
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.007 0.0206 0.0903
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0566 0.2087 1
Leishmania major trypanothione reductase 0.0105 0.034 0.1551
Plasmodium vivax M17 leucyl aminopeptidase, putative 0.0618 0.2286 0.2285
Schistosoma mansoni leucine aminopeptidase 0.0092 0.029 0.03
Onchocerca volvulus Matrix metalloproteinase homolog 0.016 0.0548 0.1312
Loa Loa (eye worm) hypothetical protein 0.0392 0.1427 0.1481
Echinococcus granulosus apoptotic protease activating factor 1 0.0063 0.018 0.0185
Trypanosoma brucei ingi protein (ORF1) 0.0124 0.0411 0.1896
Toxoplasma gondii hypothetical protein 0.0016 0.0001 0.0001
Echinococcus multilocularis ribonuclease H1 0.0114 0.0374 0.0387
Loa Loa (eye worm) hypothetical protein 0.007 0.0206 0.0213
Schistosoma mansoni matrix metallopeptidase-9 (M10 family) 0.0046 0.0116 0.0119
Leishmania major aspartyl aminopeptidase, putative,metallo-peptidase, Clan MH, Family M20 0.007 0.0206 0.0903
Brugia malayi Peptidase family M1 containing protein 0.0566 0.2087 0.3081
Loa Loa (eye worm) RecQ helicase 0.0024 0.003 0.003
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0021 0.0019 0.0019
Echinococcus granulosus aspartyl aminopeptidase 0.007 0.0206 0.0212
Onchocerca volvulus 0.0102 0.0328 0.0786
Brugia malayi RNase H family protein 0.0114 0.0374 0.0552
Trypanosoma cruzi cytosolic leucyl aminopeptidase, putative 0.0463 0.1696 0.811
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0566 0.2087 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0001 0.0001
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0036 0.0079 0.0288
Brugia malayi Thioredoxin reductase 0.0105 0.034 0.0501
Brugia malayi Aminopeptidase W07G4.4 in chromosome V 0.0092 0.029 0.0427
Echinococcus granulosus tissue type plasminogen activator 0.0058 0.0159 0.0163
Mycobacterium ulcerans leucyl aminopeptidase 0.0618 0.2286 1
Trichomonas vaginalis flap endonuclease-1, putative 0.0029 0.0051 0.0153
Schistosoma mansoni phosphoglucomutase 0.0114 0.0374 0.0387
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MF, Family M17 0.0092 0.029 0.131
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.0392 0.1427 0.6809
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0058 0.0159 0.0158
Brugia malayi Pre-SET motif family protein 0.0033 0.0066 0.0096
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.0566 0.2087 0.2166
Brugia malayi Peptidase family M1 containing protein 0.1115 0.417 0.6157
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0267 0.0954 0.4123
Toxoplasma gondii exonuclease III APE 0.0021 0.0019 0.0019
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0036 0.0079 0.0288
Onchocerca volvulus 0.0566 0.2087 0.5003
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.0072 0.0214 0.0221
Loa Loa (eye worm) glutathione reductase 0.0105 0.034 0.0352
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0105 0.034 0.1415
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.0566 0.2087 0.2166
Trypanosoma brucei metallo-peptidase, Clan MF, Family M17 0.0092 0.029 0.131
Brugia malayi Inhibitor of Apoptosis domain containing protein 0.0083 0.0255 0.0376
Entamoeba histolytica aminopeptidase, putative 0.0566 0.2087 1
Toxoplasma gondii thioredoxin reductase 0.0105 0.034 0.034
Toxoplasma gondii 1,3(4)-beta-glucanase 0.0016 0.0001 0.0001
Schistosoma mansoni lamin 0.003 0.0053 0.0054
Schistosoma mansoni inhibitor of apoptosis protein 0.0083 0.0255 0.0264
Entamoeba histolytica hypothetical protein 0.004 0.0093 0.0358
Brugia malayi Cell death protein 3 precursor 0.0063 0.018 0.0264
Echinococcus granulosus leucine aminopeptidase protein 0.0618 0.2286 0.2373
Brugia malayi Aspartyl aminopeptidase 0.007 0.0206 0.0303
Onchocerca volvulus 0.0262 0.0936 0.2243
Plasmodium vivax ataxin-2 like protein, putative 0.0028 0.0047 0.0047
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0267 0.0954 0.3596
Loa Loa (eye worm) intermediate filament protein 0.003 0.0053 0.0055
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0566 0.2087 0.2166
Entamoeba histolytica aspartyl aminopeptidase, putative 0.007 0.0206 0.0903
Brugia malayi cytosol aminopeptidase 0.0092 0.029 0.0427
Echinococcus multilocularis 6 phosphofructokinase 0.0122 0.0402 0.0417
Toxoplasma gondii microneme protein MIC4 0.0016 0.0001 0.0001
Schistosoma mansoni 6-phosphofructokinase 0.0122 0.0402 0.0417
Brugia malayi hypothetical protein 0.0136 0.0458 0.0675
Plasmodium vivax SET domain protein, putative 0.0033 0.0066 0.0065
Entamoeba histolytica hypothetical protein 0.004 0.0093 0.0358
Onchocerca volvulus 0.0058 0.0159 0.0379
Toxoplasma gondii hypothetical protein 0.0016 0.0001 0.0001
Chlamydia trachomatis cytosol aminopeptidase 0.0618 0.2286 1
Schistosoma mansoni PwLAP aminopeptidase (M17 family) 0.0092 0.029 0.03
Loa Loa (eye worm) hypothetical protein 0.0072 0.0214 0.0222
Echinococcus granulosus inhibitor of apoptosis protein 0.0083 0.0255 0.0264
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0036 0.0079 0.0115
Echinococcus multilocularis musashi 0.003 0.0053 0.0054
Echinococcus multilocularis thioredoxin glutathione reductase 0.0105 0.034 0.0352
Toxoplasma gondii PAN domain-containing protein 0.0016 0.0001 0.0001
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0036 0.0079 0.0288
Trypanosoma cruzi Aminopeptidase M1, putative 0.0566 0.2087 1
Toxoplasma gondii 6-phosphofructokinase 0.0033 0.0065 0.0065
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.007 0.0206 0.0903
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.0088 0.0274 0.1123
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0392 0.1427 0.1426
Trypanosoma brucei aspartyl aminopeptidase, putative 0.007 0.0206 0.0903
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.0392 0.1427 0.6809
Trypanosoma cruzi aspartyl aminopeptidase, putative 0.007 0.0206 0.0903
Echinococcus granulosus expressed conserved protein 0.0047 0.0118 0.0122
Brugia malayi POT family protein 0.0046 0.0114 0.0167
Plasmodium vivax thioredoxin reductase, putative 0.0105 0.034 0.0339
Loa Loa (eye worm) matrixin family protein 0.016 0.0548 0.0568
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.2553 0.9629 1
Echinococcus multilocularis leucyl aminopeptidase 0.0092 0.029 0.03
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0122 0.0402 1
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0029 0.0051 0.0153
Toxoplasma gondii leucyl aminopeptidase LAP 0.0618 0.2286 0.2286
Echinococcus granulosus ankyrin repeat and death domain containing protein 0.0016 0.0001 0.0000000091368
Toxoplasma gondii kringle domain-containing protein 0.0058 0.0159 0.0159
Schistosoma mansoni hypothetical protein 0.004 0.0093 0.0095
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0036 0.0079 0.0078
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.024 0.0852 0.3106
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0029 0.0051 0.0153
Schistosoma mansoni ankyrin 23/unc44 0.0016 0.0001 0.0000000091368
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0574 0.2117 0.2198
Brugia malayi Protein kinase domain containing protein 0.0058 0.0159 0.0233
Loa Loa (eye worm) hypothetical protein 0.0083 0.0255 0.0264
Mycobacterium ulcerans aminopeptidase N PepN 0.0392 0.1427 0.6212
Trypanosoma brucei aminopeptidase, putative 0.0092 0.029 0.131
Trichomonas vaginalis hypothetical protein 0.0033 0.0065 0.022
Loa Loa (eye worm) flap endonuclease-1 0.0029 0.0051 0.0052
Plasmodium vivax 6-phosphofructokinase, putative 0.0033 0.0065 0.0064
Brugia malayi TATA binding protein associated factor 0.0392 0.1427 0.2106
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0122 0.0402 0.169
Schistosoma mansoni ap endonuclease 0.0021 0.0019 0.0019
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0036 0.0079 0.0288
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0036 0.0079 0.0262
Giardia lamblia NADH oxidase lateral transfer candidate 0.0036 0.0079 0.1675
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.2651 1 1
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0036 0.0079 0.0288
Trichomonas vaginalis phosphofructokinase, putative 0.0033 0.0065 0.0222
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0036 0.0079 0.008
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0036 0.0079 0.0262
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0088 0.0274 0.0403
Brugia malayi hypothetical protein 0.0392 0.1427 0.2106
Mycobacterium tuberculosis Probable dehydrogenase 0.024 0.0852 0.3674
Plasmodium falciparum cysteine repeat modular protein 1 0.0058 0.0159 0.014
Plasmodium falciparum M18 aspartyl aminopeptidase 0.007 0.0206 0.0187
Plasmodium falciparum glutathione reductase 0.0105 0.034 0.0322
Echinococcus multilocularis aminopeptidase N 0.1115 0.417 0.433
Brugia malayi hypothetical protein 0.0018 0.0009 0.0013
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0566 0.2087 1
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0036 0.0079 0.0288
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0092 0.029 0.0427
Trypanosoma brucei PAB1-binding protein , putative 0.0028 0.0047 0.0136
Loa Loa (eye worm) peptidase family M1 containing protein 0.0941 0.351 0.3645
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0036 0.0079 0.0288
Echinococcus granulosus ribonuclease H1 0.0114 0.0374 0.0387
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0036 0.0079 0.0288
Onchocerca volvulus 0.003 0.0053 0.0127
Trypanosoma cruzi aminopeptidase, putative 0.0566 0.2087 1
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0036 0.0079 0.0288
Loa Loa (eye worm) hypothetical protein 0.0083 0.0255 0.0264
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0032 0.0061 0.0062
Toxoplasma gondii aminopeptidase n, putative 0.2651 1 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.024 0.0852 0.3674
Loa Loa (eye worm) hypothetical protein 0.0033 0.0066 0.0067
Mycobacterium tuberculosis Probable aminopeptidase PepB 0.0618 0.2286 1
Leishmania major ATP-dependent phosphofructokinase 0.0122 0.0402 0.1853
Schistosoma mansoni transcription factor LCR-F1 0.004 0.0093 0.0095
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0021 0.0019 0.0019
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0066 0.0067
Trypanosoma brucei metallo-peptidase, Clan MF, Family M17 0.0092 0.029 0.131
Trypanosoma cruzi metallo-peptidase, Clan MA(E) Family M1 0.0392 0.1427 0.6809
Brugia malayi Hemopexin family protein 0.0102 0.0328 0.0484
Mycobacterium leprae PROBABLE HYDROLASE 0.0088 0.0274 0.0327
Trichomonas vaginalis DNA helicase recq, putative 0.0024 0.003 0.0051
Loa Loa (eye worm) leukotriene A4 hydrolase 0.2553 0.9629 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 5 nM l-1 Inhibition of human neutrophil collagenase [Matrix Metalloproteinase-8, MMP-8] ChEMBL. 10354399
IC50 (binding) = 5 nM l-1 Inhibition of human neutrophil collagenase [Matrix Metalloproteinase-8, MMP-8] ChEMBL. 10354399
IC50 (binding) = 5 nM l-1 Inhibitory concentration against human matrix metalloproteinase-8 (human neutrophil collagenase, MMP-8) ChEMBL. 10579815
IC50 (binding) = 100 nM l-1 Inhibitory concentration of the compound against human matrix metalloproteinase-3 (MMP-3) ChEMBL. 10579815
IC50 (binding) = 3000 nM l-1 Inhibition of human neutrophil collagenase [Matrix Metalloproteinase-8, MMP-8] ChEMBL. 10354399

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

2 literature references were collected for this gene.

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