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  


Substructure search Similarity search

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 8 (neutrophil collagenase) 467 aa 467 aa 33.4 %
Echinococcus granulosus matrix metallopeptidase 7 M10 family matrix metallopeptidase 3 (stromelysin 1, progelatinase) 477 aa 431 aa 34.6 %
Obtained from network model

Ranking Plot

Putative Targets List

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

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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