Detailed information for compound 444517

Basic information

Technical information
  • TDR Targets ID: 444517
  • Name: 5'-(4-methoxyphenyl)-6-methylspiro[1H-indole- 3,2'-3H-1,3,4-thiadiazole]-2-one
  • MW: 325.385 | Formula: C17H15N3O2S
  • H donors: 2 H acceptors: 1 LogP: 3.41 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)C1=NNC2(S1)C(=O)Nc1c2ccc(c1)C
  • InChi: 1S/C17H15N3O2S/c1-10-3-8-13-14(9-10)18-16(21)17(13)20-19-15(23-17)11-4-6-12(22-2)7-5-11/h3-9,20H,1-2H3,(H,18,21)
  • InChiKey: CCZABUCLUWARCL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-(4-methoxyphenyl)-6'-methyl-spiro[3H-1,3,4-thiadiazole-2,3'-indoline]-2'-one
  • 5-(4-methoxyphenyl)-6'-methyl-2'-spiro[3H-1,3,4-thiadiazole-2,3'-indoline]one
  • 5'-(4-methoxyphenyl)-6-methyl-spiro[1H-indole-3,2'-3H-1,3,4-thiadiazole]-2-one

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ADAM metallopeptidase with thrombospondin type 1 motif, 5 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K08624 ADAM metallopeptidase with thrombospondin type 1 motif, 9, putative Get druggable targets OG5_126771 All targets in OG5_126771
Brugia malayi ADAM-TS Spacer 1 family protein Get druggable targets OG5_126771 All targets in OG5_126771
Echinococcus granulosus a disintegrin and metalloproteinase with Get druggable targets OG5_126771 All targets in OG5_126771
Echinococcus multilocularis a disintegrin and metalloproteinase with Get druggable targets OG5_126771 All targets in OG5_126771
Schistosoma mansoni ADAMTS5 peptidase (M12 family) Get druggable targets OG5_126771 All targets in OG5_126771
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126771 All targets in OG5_126771
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Onchocerca volvulus 0.0048 0.0357 0.0607
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0031 0.0157 0.099
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0035 0.0202 0.0775
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0084 0.0234
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0149 0.1584 0.6313
Loa Loa (eye worm) carboxylesterase 0.0048 0.0357 0.0652
Loa Loa (eye worm) hypothetical protein 0.0048 0.0357 0.0652
Echinococcus multilocularis mitogen activated protein kinase 3 0.0053 0.0427 0.0427
Plasmodium vivax glutathione reductase, putative 0.0089 0.0857 1
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0053 0.0427 0.0783
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0024 0.0069 0.0069
Plasmodium falciparum glutathione reductase 0.0089 0.0857 1
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0069 0.0617 0.0727
Echinococcus granulosus BC026374 protein S09 family 0.0048 0.0357 0.0421
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0035 0.0202 0.0503
Trichomonas vaginalis set domain proteins, putative 0.0248 0.2769 0.7892
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.0427 0.0817
Trypanosoma brucei glucosidase, putative 0.0038 0.0241 0.2069
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0031 0.0157 0.099
Brugia malayi Bromodomain containing protein 0.0078 0.073 0.1306
Loa Loa (eye worm) acetylcholinesterase 1 0.0281 0.317 0.5904
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0039 0.025 0.0283
Schistosoma mansoni inositol monophosphatase 0.0039 0.025 0.0295
Brugia malayi hypothetical protein 0.0464 0.5365 1
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0241 0.1197
Loa Loa (eye worm) hypothetical protein 0.0025 0.0084 0.0142
Echinococcus granulosus L aminoadipate semialdehyde 0.0087 0.0833 0.0982
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0031 0.0157 0.4509
Brugia malayi Thioredoxin reductase 0.0089 0.0857 0.1545
Loa Loa (eye worm) hypothetical protein 0.0074 0.0676 0.1248
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0031 0.0157 0.1748
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0226 0.2504 1
Schistosoma mansoni alpha-glucosidase 0.0147 0.1552 0.183
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0031 0.0157 0.0461
Loa Loa (eye worm) hypothetical protein 0.0019 0.0008 0.0001
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0024 0.008 0.4813
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0062 0.0526 0.0526
Echinococcus granulosus carboxylesterase 5A 0.0281 0.317 0.3739
Echinococcus multilocularis adam 0.0031 0.0162 0.0162
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0203 0.2231 0.8906
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0025 0.0084 0.0234
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0203 0.2231 0.8906
Schistosoma mansoni inositol monophosphatase 0.0039 0.025 0.0295
Echinococcus multilocularis RUN 0.0021 0.0034 0.0034
Echinococcus granulosus RUN 0.0021 0.0034 0.004
Plasmodium falciparum glutathione reductase 0.0031 0.0157 0.1748
Brugia malayi jmjC domain containing protein 0.0064 0.055 0.0969
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0226 0.2504 1
Echinococcus multilocularis transcription factor Dp 1 0.004 0.0267 0.0267
Schistosoma mansoni lipoxygenase 0.0021 0.0034 0.004
Onchocerca volvulus 0.0048 0.0357 0.0607
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0031 0.0157 0.0461
Echinococcus multilocularis acetylcholinesterase 0.0281 0.317 0.317
Schistosoma mansoni rab6-interacting 0.0021 0.0034 0.004
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0171 0.1838 0.3416
Brugia malayi Bromodomain containing protein 0.004 0.0268 0.0439
Mycobacterium tuberculosis Carboxylesterase LipT 0.0048 0.0357 0.1398
Echinococcus multilocularis thioredoxin glutathione reductase 0.009 0.0864 0.0864
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0306 0.3467 1
Plasmodium falciparum thioredoxin reductase 0.0089 0.0857 1
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0023 0.0058 0.0046
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0038 0.0241 0.0253
Echinococcus granulosus mitogen activated protein kinase 3 0.0053 0.0427 0.0504
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.0024 0.008 0.0222
Loa Loa (eye worm) hypothetical protein 0.0043 0.0298 0.0543
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0203 0.2231 0.8874
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0053 0.0427 0.3859
Echinococcus granulosus para nitrobenzyl esterase 0.0048 0.0357 0.0421
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0031 0.0157 0.099
Echinococcus granulosus adam 0.0031 0.0162 0.0192
Mycobacterium tuberculosis Probable reductase 0.0203 0.2231 0.8906
Schistosoma mansoni glutaminase 0.0286 0.3229 0.3808
Loa Loa (eye worm) hypothetical protein 0.0464 0.5365 1
Onchocerca volvulus 0.0048 0.0357 0.0607
Echinococcus granulosus transcription factor Dp 1 0.004 0.0267 0.0314
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0087 0.0833 0.0982
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0031 0.0157 0.0461
Brugia malayi MAP kinase sur-1 0.0053 0.0427 0.0738
Trichomonas vaginalis sucrase-isomaltase, putative 0.0038 0.0241 0.0253
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0048 0.0357 0.0357
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0306 0.3467 1
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0069 0.0617 0.6566
Echinococcus granulosus mitogen activated protein kinase 0.0053 0.0427 0.0504
Trichomonas vaginalis maltase-glucoamylase, putative 0.0038 0.0241 0.0253
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0039 0.025 0.0504
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0031 0.0161 0.019
Echinococcus granulosus Polycystic kidney disease protein 0.0021 0.0034 0.004
Toxoplasma gondii aldehyde dehydrogenase 0.0064 0.055 0.6048
Schistosoma mansoni aldehyde dehydrogenase 0.0064 0.055 0.0649
Echinococcus granulosus acetylcholinesterase 0.0281 0.317 0.3739
Loa Loa (eye worm) runx1 0.0058 0.0485 0.0891
Loa Loa (eye worm) hypothetical protein 0.0031 0.0162 0.0289
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0048 0.0357 0.1398
Loa Loa (eye worm) glutaminase 2 0.0286 0.3229 0.6013
Echinococcus granulosus fetal alzheimer antigen falz 0.0024 0.0069 0.0082
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0038 0.0238 0.0281
Echinococcus granulosus microtubule associated protein 2 0.0722 0.8478 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0064 0.055 0.2171
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.0241 0.0253
Brugia malayi Carboxylesterase family protein 0.0048 0.0357 0.0607
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0306 0.3467 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0025 0.0084 0.0234
Echinococcus granulosus neutral alpha glucosidase AB 0.0038 0.0241 0.0284
Schistosoma mansoni bromodomain containing protein 0.0066 0.0582 0.0687
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0025 0.0084 0.0017
Brugia malayi hypothetical protein 0.0048 0.0357 0.0607
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0058 0.0481 0.0567
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0161 0.019
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.0427 0.0817
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0031 0.0157 0.1748
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.0241 0.0253
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0064 0.055 0.0649
Loa Loa (eye worm) hypothetical protein 0.0281 0.317 0.5904
Loa Loa (eye worm) hypothetical protein 0.0048 0.0357 0.0652
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0084 0.0094
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0039 0.025 0.1338
Brugia malayi Pre-SET motif family protein 0.0031 0.0161 0.0239
Loa Loa (eye worm) carboxylesterase 0.0048 0.0357 0.0652
Loa Loa (eye worm) hypothetical protein 0.0048 0.0357 0.0652
Brugia malayi ADAMTS-like protease 0.0034 0.0189 0.0291
Brugia malayi Carboxylesterase family protein 0.0281 0.317 0.5884
Schistosoma mansoni lozenge 0.0058 0.0485 0.0572
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0031 0.0157 0.0595
Schistosoma mansoni alpha-glucosidase 0.0147 0.1552 0.183
Loa Loa (eye worm) hypothetical protein 0.0109 0.1101 0.2041
Loa Loa (eye worm) jmjC domain-containing protein 0.0064 0.055 0.1012
Onchocerca volvulus Papilin homolog 0.0035 0.0201 0.0313
Mycobacterium ulcerans carboxylesterase, LipT 0.0048 0.0357 0.1083
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0025 0.0084 0.0303
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0031 0.0157 0.099
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0062 0.0537 0.0537
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0031 0.0157 0.0157
Toxoplasma gondii thioredoxin reductase 0.0089 0.0857 1
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0149 0.1584 0.4892
Trypanosoma cruzi trypanothione reductase, putative 0.0089 0.0857 1
Schistosoma mansoni loxhd1 0.0021 0.0034 0.004
Loa Loa (eye worm) hypothetical protein 0.0281 0.317 0.5904
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0084 0.0053
Schistosoma mansoni jumonji domain containing protein 0.0062 0.0526 0.062
Mycobacterium ulcerans aldehyde dehydrogenase 0.0064 0.055 0.1682
Brugia malayi Carboxylesterase family protein 0.0281 0.317 0.5884
Brugia malayi jmjC domain containing protein 0.0062 0.0526 0.0924
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0281 0.317 0.3739
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0064 0.055 0.055
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0039 0.025 0.0752
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0038 0.0241 0.0435
Loa Loa (eye worm) thioredoxin reductase 0.0089 0.0857 0.1586
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0024 0.008 0.0222
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0031 0.0161 0.1048
Schistosoma mansoni polycystin 1-related 0.0021 0.0034 0.004
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0087 0.0833 0.1499
Onchocerca volvulus Huntingtin homolog 0.0128 0.1328 0.2429
Loa Loa (eye worm) hypothetical protein 0.0048 0.0357 0.0652
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0018 0.0007 0.0008
Loa Loa (eye worm) hypothetical protein 0.0048 0.0357 0.0652
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0024 0.0069 0.0082
Echinococcus multilocularis Protein lozenge 0.0058 0.0485 0.0485
Schistosoma mansoni microtubule-associated protein tau 0.0722 0.8478 1
Echinococcus multilocularis BC026374 protein (S09 family) 0.0048 0.0357 0.0357
Brugia malayi Carboxylesterase family protein 0.0048 0.0357 0.0607
Plasmodium vivax SET domain protein, putative 0.0031 0.0161 0.1801
Loa Loa (eye worm) hypothetical protein 0.0048 0.0357 0.0652
Onchocerca volvulus 0.0048 0.0357 0.0607
Echinococcus multilocularis para nitrobenzyl esterase 0.0048 0.0357 0.0357
Giardia lamblia Fructose-bisphosphate aldolase 0.0306 0.3467 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0025 0.0084 0.0012
Brugia malayi Carboxylesterase family protein 0.0048 0.0357 0.0607
Entamoeba histolytica acyl-CoA synthetase, putative 0.0025 0.0084 0.0012
Onchocerca volvulus 0.0099 0.0972 0.1761
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0039 0.025 0.1338
Onchocerca volvulus 0.0464 0.5365 1
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.0427 0.0817
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0048 0.0357 0.0421
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0203 0.2231 0.8906
Schistosoma mansoni gliotactin 0.0048 0.0357 0.0421
Brugia malayi glutaminase DH11.1 0.0286 0.3229 0.5993
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0049 0.0376 0.0444
Echinococcus granulosus inositol monophosphatase 1 0.0039 0.025 0.0295
Loa Loa (eye worm) hypothetical protein 0.0049 0.0376 0.0688
Echinococcus granulosus thioredoxin glutathione reductase 0.009 0.0864 0.1019
Schistosoma mansoni neuroligin 3 (S09 family) 0.0048 0.0357 0.0421
Echinococcus multilocularis carboxylesterase 5A 0.0281 0.317 0.317
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0306 0.3467 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0049 0.0376 0.0444
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0053 0.0427 0.3859
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0031 0.0157 0.099
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0069 0.0617 0.6906
Schistosoma mansoni jumonji/arid domain-containing protein 0.0064 0.055 0.0649
Onchocerca volvulus 0.0087 0.0833 0.1499
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0025 0.0084 0.0234
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0031 0.0157 0.099
Echinococcus granulosus lysine specific demethylase 5A 0.0064 0.055 0.0649
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0038 0.0241 0.0253
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0031 0.0157 0.0185
Leishmania major trypanothione reductase 0.0089 0.0857 1
Schistosoma mansoni zinc finger protein 0.002 0.0032 0.0037
Mycobacterium ulcerans aldehyde dehydrogenase 0.0064 0.055 0.1682
Loa Loa (eye worm) inositol-1 0.0039 0.025 0.0453
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0069 0.0617 0.0727
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0053 0.0427 0.4466
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0084 0.0234
Echinococcus multilocularis inositol monophosphatase 1 0.0039 0.025 0.025
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0069 0.0617 0.6906
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0203 0.2231 0.8906
Echinococcus multilocularis lysosomal alpha glucosidase 0.0171 0.1838 0.1838
Onchocerca volvulus 0.0048 0.0357 0.0607
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0062 0.0537 0.0634
Loa Loa (eye worm) glutathione reductase 0.0089 0.0857 0.1586
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0031 0.0157 1
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0031 0.0157 0.0231
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0031 0.0157 0.0185
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0306 0.3467 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0226 0.2504 1
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0069 0.0617 0.0617
Plasmodium vivax thioredoxin reductase, putative 0.0089 0.0857 1
Brugia malayi hypothetical protein 0.0128 0.1328 0.2429
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0039 0.025 0.2195
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0226 0.2504 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0008 0.0001
Loa Loa (eye worm) hypothetical protein 0.0019 0.0008 0.0001
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.0241 0.0253
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0241 0.1197
Trichomonas vaginalis spcc417.12 protein, putative 0.0048 0.0357 0.0606
Entamoeba histolytica acyl-coA synthetase, putative 0.0025 0.0084 0.0012
Toxoplasma gondii NADPH-glutathione reductase 0.0031 0.0157 0.099
Giardia lamblia Kinase, CMGC MAPK 0.0053 0.0427 0.0817
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.0161 0.0161
Schistosoma mansoni acetylcholinesterase 0.0048 0.0357 0.0421
Loa Loa (eye worm) hypothetical protein 0.0087 0.0833 0.154
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0306 0.3467 1
Echinococcus granulosus lipoxygenase domain containing protein 0.0021 0.0034 0.004
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0053 0.0427 0.4466
Schistosoma mansoni serine/threonine protein kinase 0.0053 0.0427 0.0504
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0024 0.008 0.0841
Echinococcus multilocularis a disintegrin and metalloproteinase with 0.0046 0.0335 0.0335
Loa Loa (eye worm) hypothetical protein 0.0025 0.0084 0.0142
Brugia malayi angiogenesis inhibito 0.0034 0.0189 0.0291
Treponema pallidum NADH oxidase 0.0031 0.0157 0.0227
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0053 0.0427 0.3859
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0039 0.025 1
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0024 0.008 0.0286
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0039 0.025 0.2195
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0025 0.0084 0.0303
Loa Loa (eye worm) PHD-finger family protein 0.0022 0.0045 0.007
Loa Loa (eye worm) hypothetical protein 0.0021 0.0034 0.0048
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0038 0.0238 0.0238
Mycobacterium ulcerans glutaminase 0.0286 0.3229 1
Loa Loa (eye worm) carboxylesterase 0.0281 0.317 0.5904
Onchocerca volvulus Huntingtin homolog 0.0128 0.1328 0.2429
Mycobacterium ulcerans hypothetical protein 0.0025 0.0084 0.0234
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0031 0.0157 0.099
Brugia malayi PHD-finger family protein 0.0026 0.0099 0.0123
Loa Loa (eye worm) glutaminase 0.0286 0.3229 0.6013
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0031 0.0157 0.099
Mycobacterium ulcerans aldehyde dehydrogenase 0.0064 0.055 0.1682
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0069 0.0617 0.1137
Brugia malayi Carboxylesterase family protein 0.0048 0.0357 0.0607
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0306 0.3467 1
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0058 0.0481 0.0481
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0039 0.025 0.2195
Brugia malayi Glycosyl hydrolases family 31 protein 0.0171 0.1838 0.3384
Echinococcus multilocularis microtubule associated protein 2 0.0722 0.8478 0.8478
Loa Loa (eye worm) hypothetical protein 0.0045 0.0322 0.0587
Echinococcus multilocularis L aminoadipate semialdehyde 0.0087 0.0833 0.0833
Loa Loa (eye worm) hypothetical protein 0.0019 0.0008 0.0001
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0018 0.0007 0.0007
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0038 0.0241 0.0475
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0306 0.3467 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0008 0.0001
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0084 0.0053
Schistosoma mansoni rab6-interacting 0.0021 0.0034 0.004
Brugia malayi glutathione reductase 0.0089 0.0857 0.1545
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0218 0.2407 0.4479
Loa Loa (eye worm) hypothetical protein 0.0128 0.1328 0.2465
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0048 0.0357 0.0421
Schistosoma mansoni ADAMTS5 peptidase (M12 family) 0.0046 0.0335 0.0395
Trypanosoma brucei protein kinase, putative 0.0053 0.0427 0.4466
Brugia malayi hypothetical protein 0.0031 0.0162 0.0242
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0025 0.0084 0.0017
Trichomonas vaginalis inositol monophosphatase, putative 0.0039 0.025 0.0283
Loa Loa (eye worm) hypothetical protein 0.0025 0.0084 0.0142
Echinococcus granulosus histone lysine methyltransferase setb 0.0049 0.0376 0.0444
Onchocerca volvulus 0.0248 0.2769 0.5131
Echinococcus multilocularis neuroligin 0.0048 0.0357 0.0357
Echinococcus multilocularis lysine specific demethylase 5A 0.0062 0.0526 0.0526
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0025 0.0084 0.0234
Schistosoma mansoni alpha glucosidase 0.0038 0.0241 0.0284
Echinococcus multilocularis zinc finger protein 0.002 0.0032 0.0032
Echinococcus multilocularis lipoxygenase domain containing protein 0.0021 0.0034 0.0034
Echinococcus multilocularis acetylcholinesterase 0.0281 0.317 0.317
Brugia malayi Pre-SET motif family protein 0.0218 0.2407 0.4452
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0038 0.0241 0.2069
Schistosoma mansoni aldehyde dehydrogenase 0.0064 0.055 0.0649
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0024 0.008 0.0841
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0064 0.055 0.6048
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.003 0.0147 0.0174
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0023 0.0058 0.0046
Loa Loa (eye worm) doublecortin family protein 0.0021 0.0034 0.0048
Schistosoma mansoni hypothetical protein 0.0022 0.0045 0.0053
Brugia malayi ADAM-TS Spacer 1 family protein 0.0109 0.1101 0.2003
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0084 0.0094
Trypanosoma brucei trypanothione reductase 0.0089 0.0857 1
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0069 0.0617 0.6566
Brugia malayi Glycosyl hydrolases family 31 protein 0.0038 0.0241 0.0388
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0031 0.0157 0.099
Echinococcus multilocularis mitogen activated protein kinase 0.0053 0.0427 0.0427
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0038 0.0241 0.0475
Schistosoma mansoni lipoxygenase 0.0058 0.0481 0.0567
Loa Loa (eye worm) hypothetical protein 0.004 0.0269 0.0487
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0149 0.1584 0.6204
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0084 0.0094
Plasmodium falciparum LCCL domain-containing protein 0.0021 0.0034 0.0297
Leishmania major alpha glucosidase II subunit, putative 0.0038 0.0241 0.2069
Echinococcus granulosus neuroligin 0.0048 0.0357 0.0421
Schistosoma mansoni jumonji/arid domain-containing protein 0.0064 0.055 0.0649
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0053 0.0427 0.3859
Plasmodium falciparum thioredoxin reductase 0.0031 0.0157 0.1748
Echinococcus granulosus lysosomal alpha glucosidase 0.0171 0.1838 0.2167
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.0427 0.0817
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0062 0.0526 0.062
Loa Loa (eye worm) hypothetical protein 0.0464 0.5365 1
Treponema pallidum fructose-bisphosphate aldolase 0.0306 0.3467 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0306 0.3467 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0242 0.2703 0.5031
Schistosoma mansoni BC026374 protein (S09 family) 0.0048 0.0357 0.0421
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0049 0.0376 0.0376
Echinococcus granulosus a disintegrin and metalloproteinase with 0.0046 0.0335 0.0395
Onchocerca volvulus 0.0025 0.0084 0.0094
Schistosoma mansoni hypothetical protein 0.0021 0.0034 0.004
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0039 0.025 0.0283
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0069 0.0617 0.1585
Echinococcus multilocularis lysosomal alpha glucosidase 0.0171 0.1838 0.1838
Echinococcus granulosus zinc finger protein 0.002 0.0032 0.0037
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0053 0.0427 0.4466
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0031 0.0157 0.1748
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.0241 0.0253
Loa Loa (eye worm) hypothetical protein 0.0128 0.1328 0.2465
Brugia malayi follicle stimulating hormone receptor 0.0242 0.2703 0.5007
Schistosoma mansoni adam (A disintegrin and metalloprotease 0.0031 0.0162 0.0192
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0306 0.3467 1
Onchocerca volvulus 0.0031 0.0161 0.0239
Loa Loa (eye worm) hypothetical protein 0.0048 0.0357 0.0652
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0053 0.0427 0.4466
Plasmodium vivax multidomain scavenger receptor, putative 0.0021 0.0034 0.0297
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0084 0.0053
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.0241 0.0253
Loa Loa (eye worm) hypothetical protein 0.0021 0.0034 0.0048
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0089 0.0857 0.3402
Brugia malayi Inositol-1 0.0039 0.025 0.0407
Mycobacterium tuberculosis Probable dehydrogenase 0.0203 0.2231 0.8906
Trichomonas vaginalis glutaminase, putative 0.0286 0.3229 0.928
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0048 0.0357 0.0421
Echinococcus multilocularis neutral alpha glucosidase AB 0.0038 0.0241 0.0241
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0069 0.0617 0.1094
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0084 0.0234
Echinococcus multilocularis lipoxygenase domain containing protein 0.0021 0.0034 0.0034
Echinococcus multilocularis Polycystic kidney disease protein 0.0021 0.0034 0.0034
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0048 0.0357 0.1398
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0048 0.0357 0.0421
Echinococcus granulosus acetylcholinesterase 0.0281 0.317 0.3739
Loa Loa (eye worm) hypothetical protein 0.0035 0.0201 0.036
Echinococcus granulosus lipoxygenase domain containing protein 0.0021 0.0034 0.004
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0048 0.0357 0.0606
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0031 0.0157 0.4509
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0031 0.0157 0.1748

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 1.4 uM Inhibition of ADAMTS5 by FRET assay ChEMBL. 17804234
IC50 (binding) = 1.4 uM Inhibition of ADAMTS5 by FRET assay ChEMBL. 17804234

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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