Detailed information for compound 1534453

Basic information

Technical information
  • TDR Targets ID: 1534453
  • Name: ethyl 4-[2-[[4-methyl-5-[(2-oxo-1,3-benzothia zol-3-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl] acetyl]piperazine-1-carboxylate
  • MW: 476.572 | Formula: C20H24N6O4S2
  • H donors: 0 H acceptors: 5 LogP: 1.31 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)N1CCN(CC1)C(=O)CSc1nnc(n1C)Cn1c(=O)sc2c1cccc2
  • InChi: 1S/C20H24N6O4S2/c1-3-30-19(28)25-10-8-24(9-11-25)17(27)13-31-18-22-21-16(23(18)2)12-26-14-6-4-5-7-15(14)32-20(26)29/h4-7H,3,8-13H2,1-2H3
  • InChiKey: KAKOQGLROPPUMJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[2-[[4-methyl-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]thio]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester
  • 4-[2-[[5-[(2-keto-1,3-benzothiazol-3-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]acetyl]piperazine-1-carboxylic acid ethyl ester
  • ethyl 4-[2-[[4-methyl-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]piperazine-1-carboxylate
  • MLS000118548
  • SMR000095489

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Onchocerca volvulus 0.0108 0.2101 0.3954
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.0584 0.1032
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0082 0.0174
Echinococcus granulosus tar DNA binding protein 0.0196 0.411 0.411
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0196 0.411 0.9552
Loa Loa (eye worm) hypothetical protein 0.0054 0.0861 0.2001
Echinococcus granulosus calpain A 0.008 0.1467 0.1467
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0037 0.0491 0.4899
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0037 0.0491 0.4988
Loa Loa (eye worm) hypothetical protein 0.005 0.0778 0.1808
Brugia malayi calpain 5 0.0023 0.0157 0.0365
Toxoplasma gondii exonuclease III APE 0.0037 0.0491 0.4899
Echinococcus granulosus neuropeptide receptor A26 0.0454 1 1
Echinococcus multilocularis neutral alpha glucosidase AB 0.0041 0.0584 0.0584
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0026 0.024 0.4088
Trypanosoma brucei calpain-like protein, putative 0.0023 0.0157 0.1059
Echinococcus multilocularis calpain 5 0.0023 0.0157 0.0157
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0446 0.0446
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0037 0.0491 0.4988
Echinococcus granulosus calpain 0.0023 0.0157 0.0157
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0584 0.6091
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.0778 0.1808
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0041 0.0584 0.1032
Echinococcus multilocularis neuropeptide s receptor 0.0454 1 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.024 0.4088
Echinococcus multilocularis lysosomal alpha glucosidase 0.0186 0.3895 0.3895
Schistosoma mansoni tar DNA-binding protein 0.0196 0.411 1
Plasmodium vivax calpain, putative 0.0023 0.0157 0.0901
Brugia malayi Glycosyl hydrolases family 31 protein 0.0186 0.3895 0.9053
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0418 0.0971
Echinococcus granulosus calpain A 0.0023 0.0157 0.0157
Echinococcus multilocularis hypothetical protein 0.0023 0.0157 0.0157
Trypanosoma cruzi kinesin, putative 0.0023 0.0157 0.1059
Schistosoma mansoni tar DNA-binding protein 0.0196 0.411 1
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0023 0.0157 0.1059
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0023 0.0157 0.1059
Loa Loa (eye worm) cytochrome P450 family protein 0.0019 0.0067 0.0156
Trypanosoma brucei calpain-like protein, putative 0.0023 0.0157 0.1059
Loa Loa (eye worm) calpain family protein 1 0.0076 0.1378 0.3203
Schistosoma mansoni Mername-AA248 (C02 family) 0.0023 0.0157 0.0382
Brugia malayi RNA binding protein 0.0196 0.411 0.9552
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0584 0.6091
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0309 0.0751
Leishmania major calpain, putative,cysteine peptidase, Clan CA, family C2, putative 0.0023 0.0157 0.1059
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0037 0.0491 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.0584 0.1032
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0041 0.0584 0.6021
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0309 0.0751
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.008 0.1467 0.357
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0309 0.0751
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0082 0.0174
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0309 0.0309
Schistosoma mansoni alpha glucosidase 0.0041 0.0584 0.1421
Echinococcus multilocularis muscleblind protein 0.0171 0.3542 0.3542
Brugia malayi calpain 7 0.0023 0.0157 0.0365
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0019 0.0082 0.0064
Brugia malayi Pre-SET motif family protein 0.0029 0.0309 0.0717
Loa Loa (eye worm) hypothetical protein 0.0026 0.024 0.0559
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0082 0.0174
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0019 0.0082 0.0174
Loa Loa (eye worm) hypothetical protein 0.002 0.0089 0.0206
Loa Loa (eye worm) hypothetical protein 0.002 0.0089 0.0206
Trypanosoma cruzi trypanothione reductase, putative 0.0056 0.0916 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0157 0.3228 0.3228
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0026 0.024 0.4088
Onchocerca volvulus 0.0233 0.4947 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.024 0.0559
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0041 0.0584 1
Schistosoma mansoni calpain (C02 family) 0.0023 0.0157 0.0382
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0026 0.024 0.0627
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0157 0.3228 0.7501
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0019 0.0082 0.0174
Brugia malayi AMP-binding enzyme family protein 0.0026 0.024 0.0559
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.0778 0.1808
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0023 0.0157 0.1059
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0023 0.0157 0.1059
Trichomonas vaginalis maltase-glucoamylase, putative 0.0041 0.0584 0.1032
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0037 0.0491 0.4988
Trypanosoma brucei glucosidase, putative 0.0041 0.0584 0.6091
Onchocerca volvulus 0.0054 0.0861 0.1319
Trypanosoma cruzi kinesin, putative 0.0023 0.0157 0.1059
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0023 0.0157 0.1059
Loa Loa (eye worm) CYP4Cod1 0.0019 0.0067 0.0156
Loa Loa (eye worm) hypothetical protein 0.0171 0.3542 0.8231
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0019 0.0082 0.0348
Echinococcus multilocularis muscleblind protein 1 0.0171 0.3542 0.3542
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0037 0.0491 0.4988
Brugia malayi glutathione reductase 0.0056 0.0916 0.2129
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.024 0.4088
Trichomonas vaginalis ap endonuclease, putative 0.0037 0.0491 0.084
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0157 0.3228 0.7853
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0128 0.2551 0.8845
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative 0.0023 0.0157 0.1059
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0037 0.0491 0.4899
Entamoeba histolytica hypothetical protein 0.0035 0.0446 0.6762
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0019 0.0082 0.02
Brugia malayi AMP-binding enzyme family protein 0.0026 0.024 0.0559
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0041 0.0584 0.1032
Schistosoma mansoni tar DNA-binding protein 0.0196 0.411 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0446 0.0446
Plasmodium falciparum glutathione reductase 0.0056 0.0916 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0142 0.2875 1
Brugia malayi calpain family protein 1 0.0076 0.1378 0.3203
Brugia malayi AMP-binding enzyme family protein 0.0026 0.024 0.0559
Trypanosoma cruzi calpain cysteine peptidase, putative 0.0023 0.0157 0.1059
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0037 0.0491 0.0491
Trypanosoma brucei kinesin, putative 0.0023 0.0157 0.1059
Schistosoma mansoni tar DNA-binding protein 0.0196 0.411 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.0309 0.0309
Schistosoma mansoni alpha-glucosidase 0.0161 0.3303 0.8036
Schistosoma mansoni hypothetical protein 0.0034 0.0418 0.1017
Loa Loa (eye worm) hypothetical protein 0.0076 0.1378 0.3203
Schistosoma mansoni alpha-glucosidase 0.0161 0.3303 0.8036
Schistosoma mansoni ap endonuclease 0.0037 0.0491 0.1194
Trichomonas vaginalis set domain proteins, putative 0.0233 0.4947 1
Plasmodium vivax SET domain protein, putative 0.0029 0.0309 0.2718
Plasmodium vivax glutathione reductase, putative 0.0056 0.0916 1
Entamoeba histolytica acyl-coA synthetase, putative 0.0026 0.024 0.1948
Loa Loa (eye worm) hypothetical protein 0.002 0.0089 0.0206
Schistosoma mansoni calpain-7 (C02 family) 0.0023 0.0157 0.0382
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0309 0.0751
Brugia malayi Cytochrome P450 family protein 0.0019 0.0067 0.0156
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0019 0.0082 0.0174
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0023 0.0157 0.1059
Schistosoma mansoni hypothetical protein 0.0035 0.0446 0.1085
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0186 0.3895 0.9053
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0128 0.2551 0.8845
Mycobacterium tuberculosis Probable oxidoreductase 0.0142 0.2875 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0037 0.0491 0.0491
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0157 0.3228 0.3228
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0056 0.0916 0.303
Treponema pallidum exodeoxyribonuclease (exoA) 0.0037 0.0491 1
Echinococcus granulosus neutral alpha glucosidase AB 0.0041 0.0584 0.0584
Entamoeba histolytica hypothetical protein 0.0035 0.0446 0.6762
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0019 0.0082 0.0174
Schistosoma mansoni calpain-7 (C02 family) 0.0023 0.0157 0.0382
Leishmania major kinesin, putative 0.0023 0.0157 0.1059
Brugia malayi exodeoxyribonuclease III family protein 0.0037 0.0491 0.114
Brugia malayi RNA recognition motif domain containing protein 0.0196 0.411 0.9552
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0157 0.3228 0.7853
Loa Loa (eye worm) calpain family protein 1 0.0054 0.0861 0.2001
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0284 0.0284
Trypanosoma brucei calpain-like protein, putative 0.0023 0.0157 0.1059
Mycobacterium ulcerans fatty-acid-CoA ligase 0.002 0.0089 0.0502
Brugia malayi hypothetical protein 0.0035 0.0446 0.1036
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.002 0.0089 1
Mycobacterium tuberculosis Probable reductase 0.0128 0.2551 0.8845
Loa Loa (eye worm) hypothetical protein 0.002 0.0089 0.0206
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0037 0.0491 1
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0019 0.0082 0.0082
Echinococcus multilocularis neuropeptide receptor A26 0.0454 1 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0041 0.0584 0.1358
Echinococcus multilocularis lysosomal alpha glucosidase 0.0186 0.3895 0.3895
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0019 0.0082 0.0174
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0026 0.024 0.4088
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0026 0.024 0.0627
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0019 0.0082 0.0174
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0023 0.0157 0.1059
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) 0.008 0.1467 0.1467
Loa Loa (eye worm) thioredoxin reductase 0.0056 0.0916 0.2129
Entamoeba histolytica hypothetical protein 0.0035 0.0446 0.6762
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.0584 0.1032
Echinococcus granulosus calpain 7 C02 family 0.0023 0.0157 0.0157
Loa Loa (eye worm) calpain 5 0.0023 0.0157 0.0365
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0157 0.3228 0.7501
Loa Loa (eye worm) hypothetical protein 0.0029 0.0309 0.0717
Loa Loa (eye worm) hypothetical protein 0.0171 0.3542 0.8231
Loa Loa (eye worm) hypothetical protein 0.0026 0.024 0.0559
Echinococcus multilocularis calpain 7 (C02 family) 0.0023 0.0157 0.0157
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0128 0.2551 0.8845
Plasmodium vivax acyl-CoA synthetase, putative 0.002 0.0089 0.0078
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0019 0.0082 0.0174
Schistosoma mansoni hypothetical protein 0.017 0.3509 0.8537
Loa Loa (eye worm) hypothetical protein 0.0076 0.1378 0.3203
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0041 0.0584 0.1358
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0142 0.2875 1
Brugia malayi calpain family protein 1 0.0076 0.1378 0.3203
Brugia malayi Thioredoxin reductase 0.0056 0.0916 0.2129
Plasmodium falciparum thioredoxin reductase 0.0056 0.0916 1
Mycobacterium ulcerans hypothetical protein 0.0026 0.024 0.4088
Schistosoma mansoni tar DNA-binding protein 0.0196 0.411 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0056 0.0916 0.0916
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0037 0.0491 1
Trypanosoma brucei calpain-like protein, putative 0.0023 0.0157 0.1059
Entamoeba histolytica acyl-CoA synthetase, putative 0.0026 0.024 0.1948
Loa Loa (eye worm) hypothetical protein 0.002 0.0089 0.0206
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.008 0.1467 0.357
Echinococcus multilocularis geminin 0.017 0.3509 0.3509
Trypanosoma brucei trypanothione reductase 0.0056 0.0916 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.024 0.2039
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0037 0.0491 0.7809
Mycobacterium tuberculosis Probable dehydrogenase 0.0128 0.2551 0.8845
Brugia malayi TAR-binding protein 0.0196 0.411 0.9552
Schistosoma mansoni ap endonuclease 0.0037 0.0491 0.1194
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0037 0.0491 0.114
Loa Loa (eye worm) calpain 0.0023 0.0157 0.0365
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0019 0.0082 0.0174
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.002 0.0089 0.0087
Loa Loa (eye worm) cytochrome P450 family protein 0.0019 0.0067 0.0156
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0157 0.3228 0.7853
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0037 0.0491 0.1517
Schistosoma mansoni calpain C (C02 family) 0.0023 0.0157 0.0382
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0446 0.1085
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.0778 0.1808
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0157 0.3228 0.3228
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0019 0.0082 0.0348
Trypanosoma cruzi trypanothione reductase, putative 0.0019 0.0082 0.0174
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0019 0.0082 0.0348
Onchocerca volvulus 0.0029 0.0309 0.0145
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0204 0.4303 1
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0019 0.0082 0.0082
Echinococcus multilocularis calpain 0.0023 0.0157 0.0157
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0019 0.0082 0.0174
Entamoeba histolytica hypothetical protein 0.0035 0.0446 0.6762
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.0584 0.1032
Echinococcus granulosus family C2 unassigned peptidase C02 family 0.008 0.1467 0.1467
Echinococcus granulosus muscleblind protein 0.0171 0.3542 0.3542
Trypanosoma brucei antigen, putative 0.0023 0.0157 0.1059
Brugia malayi Pre-SET motif family protein 0.0204 0.4303 1
Echinococcus multilocularis calpain family protein 1, d 0.0054 0.0861 0.0861
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0082 0.0174
Echinococcus multilocularis tar DNA binding protein 0.0196 0.411 0.411
Schistosoma mansoni hypothetical protein 0.017 0.3509 0.8537
Plasmodium falciparum acyl-CoA synthetase 0.002 0.0089 0.0078
Leishmania major trypanothione reductase 0.0056 0.0916 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.024 0.2039
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0019 0.0082 0.0174
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0026 0.024 0.4088
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0128 0.2551 0.8845
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0082 0.0174
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0157 0.3228 0.3228
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.024 0.2039
Leishmania major alpha glucosidase II subunit, putative 0.0041 0.0584 0.6091
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0128 0.2551 0.8767
Echinococcus granulosus calpain 5 0.0023 0.0157 0.0157
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0023 0.0157 0.1059
Echinococcus multilocularis thioredoxin glutathione reductase 0.0056 0.0916 0.0916
Echinococcus granulosus geminin 0.017 0.3509 0.3509
Entamoeba histolytica acyl-CoA synthetase, putative 0.0026 0.024 0.1948
Plasmodium vivax thioredoxin reductase, putative 0.0056 0.0916 1
Echinococcus granulosus lysosomal alpha glucosidase 0.0186 0.3895 0.3895
Toxoplasma gondii thioredoxin reductase 0.0056 0.0916 1
Loa Loa (eye worm) TAR-binding protein 0.0196 0.411 0.9552
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0023 0.0157 0.1059
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0309 0.2718
Loa Loa (eye worm) RNA binding protein 0.0196 0.411 0.9552
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0142 0.2875 1
Trichomonas vaginalis sucrase-isomaltase, putative 0.0041 0.0584 0.1032
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0019 0.0082 0.0191
Loa Loa (eye worm) hypothetical protein 0.0034 0.0418 0.0971
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0023 0.0157 0.1059
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.0584 0.1032
Brugia malayi Cytochrome P450 family protein 0.0019 0.0067 0.0156
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0023 0.0157 0.1059
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0041 0.0584 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.024 0.4088
Echinococcus multilocularis calpain A 0.008 0.1467 0.1467
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0023 0.0157 0.1059
Trichomonas vaginalis ap endonuclease, putative 0.0037 0.0491 0.084
Loa Loa (eye worm) hypothetical protein 0.0054 0.0861 0.2001
Loa Loa (eye worm) glutathione reductase 0.0056 0.0916 0.2129
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0082 0.0174
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0309 0.0309
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0076 0.1378 0.3354
Brugia malayi Muscleblind-like protein 0.0171 0.3542 0.8231

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 10 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

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.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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