Detailed information for compound 797434

Basic information

Technical information
  • TDR Targets ID: 797434
  • Name: N'-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(4-met hylphenyl)sulfonylpropanehydrazide
  • MW: 407.464 | Formula: C17H17N3O5S2
  • H donors: 1 H acceptors: 5 LogP: 2.14 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC(=O)N(S(=O)(=O)c1ccc(cc1)C)NC1=NS(=O)(=O)c2c1cccc2
  • InChi: 1S/C17H17N3O5S2/c1-3-16(21)20(27(24,25)13-10-8-12(2)9-11-13)18-17-14-6-4-5-7-15(14)26(22,23)19-17/h4-11H,3H2,1-2H3,(H,18,19)
  • InChiKey: SJMPTEWAYQXFIM-UHFFFAOYSA-N  

Network

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Synonyms

  • N'-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(4-methylphenyl)sulfonyl-propanehydrazide
  • N'-(1,1-diketo-1,2-benzothiazol-3-yl)-N-(4-methylphenyl)sulfonyl-propionohydrazide
  • MLS000714164
  • SMR000274144
  • ZINC00849992
  • A2155/0090496
  • BAS 01101769

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens l(3)mbt-like 1 (Drosophila) Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni hypothetical protein Get druggable targets OG5_130415 All targets in OG5_130415
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
Schistosoma japonicum Lethal(3)malignant brain tumor-like 3 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus guanine nucleotide binding protein Gs 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
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis guanine nucleotide binding protein G(s) 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 Lethal(3)malignant brain tumor-like 4 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
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
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
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 Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723

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 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Echinococcus multilocularis mitogen activated protein kinase 3 0.0029 0.049 0.067
Onchocerca volvulus 0.0135 0.2653 0.5218
Echinococcus granulosus thymidylate synthase 0.0251 0.5026 0.6868
Onchocerca volvulus 0.0033 0.0563 0.1005
Echinococcus granulosus dihydrofolate reductase 0.0363 0.7317 1
Giardia lamblia Kinase, CMGC MAPK 0.0029 0.049 1
Mycobacterium tuberculosis Possible oxidoreductase 0.0021 0.0329 0.0082
Schistosoma mansoni dihydropteridine reductase 0.0021 0.0329 0.045
Echinococcus multilocularis dihydrofolate reductase 0.0363 0.7317 1
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0058 0.1075 0.2037
Echinococcus granulosus ankyrin repeat and death domain containing protein 0.0008 0.0065 0.0088
Trichomonas vaginalis CMGC family protein kinase 0.0029 0.049 0.1754
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0021 0.0329 0.0082
Brugia malayi Uncoordinated protein 44 0.0008 0.0065 0.0088
Mycobacterium tuberculosis Probable dehydrogenase/reductase 0.0021 0.0329 0.0082
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0287 0.0392
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0021 0.0329 0.0341
Schistosoma mansoni sex comb on midleg homolog 0.0058 0.1075 0.1469
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0029 0.049 0.067
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) 0.0021 0.0329 0.0082
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0008 0.0063 0.0072
Loa Loa (eye worm) hypothetical protein 0.0021 0.0329 0.045
Brugia malayi Dihydrofolate reductase 0.0363 0.7317 1
Mycobacterium ulcerans short chain dehydrogenase 0.0021 0.0329 0.0082
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0011 0.0116 0.0131
Trichomonas vaginalis CMGC family protein kinase 0.0029 0.049 0.1754
Brugia malayi Pre-SET motif family protein 0.0118 0.2317 0.3167
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0024 0.0396 0.0176
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.0021 0.0329 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0021 0.0329 0.0082
Trichomonas vaginalis CMGC family protein kinase 0.0029 0.049 0.1754
Plasmodium falciparum enoyl-acyl carrier reductase 0.0021 0.0329 0.0374
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0021 0.0329 0.0341
Brugia malayi dihydrofolate reductase family protein 0.0363 0.7317 1
Mycobacterium ulcerans short chain dehydrogenase 0.0024 0.0396 0.0176
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.0021 0.0329 0.0082
Plasmodium falciparum 1-cys peroxiredoxin 0.0072 0.136 0.1546
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0016 0.0219 0.0299
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0029 0.049 0.0525
Trypanosoma brucei protein kinase, putative 0.0029 0.049 0.0464
Mycobacterium ulcerans short chain dehydrogenase 0.0021 0.0329 0.0082
Echinococcus granulosus lamin dm0 0.0033 0.0563 0.077
Loa Loa (eye worm) hypothetical protein 0.0017 0.0245 0.0334
Plasmodium vivax SET domain protein, putative 0.0017 0.0245 0.0205
Mycobacterium ulcerans short chain dehydrogenase 0.0021 0.0329 0.0082
Schistosoma mansoni myelin transcription factor 1 myt1 0.0066 0.1238 0.1692
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0287 0.0392
Echinococcus granulosus GPCR family 2 0.0019 0.0287 0.0392
Leishmania major dehydrogenase/oxidoreductase-like protein 0.0021 0.0329 0.03
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1027 0.1403
Loa Loa (eye worm) retinol dehydrogenase 12 0.0021 0.0329 0.045
Wolbachia endosymbiont of Brugia malayi Short-chain alcohol dehydrogenase family enzyme 0.0021 0.0329 0.5
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0021 0.0329 0.0082
Plasmodium vivax enoyl-acyl carrier protein reductase 0.0021 0.0329 0.0302
Mycobacterium ulcerans short chain dehydrogenase 0.0021 0.0329 0.0082
Echinococcus granulosus histone lysine methyltransferase setb 0.0017 0.0245 0.0334
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0029 0.049 0.0525
Schistosoma mansoni hypothetical protein 0.0008 0.0065 0.0088
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0042 0.0754 0.103
Echinococcus granulosus polycomb protein SCMH1 0.0058 0.1075 0.1469
Plasmodium vivax 3-oxoacyl-[acyl-carrier-protein] reductase, putative 0.0021 0.0329 0.0302
Echinococcus multilocularis netrin receptor unc 5 0.0008 0.0065 0.0088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1027 0.1403
Loa Loa (eye worm) hypothetical protein 0.006 0.1128 0.1542
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0029 0.049 0.0464
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0029 0.049 0.0461
Toxoplasma gondii enoyl-acyl carrier reductase ENR 0.0021 0.0329 0.0374
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0227 0.4538 0.6202
Echinococcus multilocularis GPCR, family 2 0.0019 0.0287 0.0392
Echinococcus multilocularis bloom syndrome protein 0.0012 0.0146 0.0199
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1027 0.1403
Loa Loa (eye worm) cytochrome P450 family protein 0.0013 0.0161 0.0219
Echinococcus granulosus nuclear factor of activated T cells 5 0.0042 0.0754 0.103
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0021 0.0329 0.0082
Trypanosoma cruzi oxidoreductase-like protein, putative 0.0024 0.0396 0.0417
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0021 0.0329 0.0082
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0287 0.0392
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0017 0.0245 0.0334
Mycobacterium ulcerans 3-alpha-hydroxysteroid dehydrogenase 0.0024 0.0396 0.0176
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0029 0.049 0.0557
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0016 0.0219 0.0299
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0029 0.049 0.0461
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0563 0.077
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0066 0.1238 0.1692
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0021 0.0329 0.0082
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1027 0.1403
Loa Loa (eye worm) hypothetical protein 0.0016 0.0219 0.0299
Echinococcus multilocularis histone acetyltransferase MYST2 0.0066 0.1238 0.1692
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1027 0.1403
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0251 0.5026 0.6748
Echinococcus granulosus death domain containing protein 0.0008 0.0065 0.0088
Trypanosoma brucei pteridine reductase 1 0.0491 0.9933 1
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0021 0.0329 0.0082
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0017 0.0245 0.0334
Mycobacterium ulcerans thymidylate synthase 0.0251 0.5026 0.6748
Onchocerca volvulus 0.0024 0.0396 0.0667
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0021 0.0329 0.0082
Mycobacterium ulcerans short chain dehydrogenase 0.0021 0.0329 0.0082
Echinococcus granulosus 3 oxoacyl acyl carrier protein reductase 0.0021 0.0329 0.045
Loa Loa (eye worm) mbt repeat family protein 0.0058 0.1075 0.1469
Trichomonas vaginalis peroxiredoxin, putative 0.0018 0.0271 0.092
Schistosoma mansoni 3-oxoacyl-[ACP] reductase 0.0021 0.0329 0.045
Trypanosoma brucei beta-ketoacyl-ACP reductase 0.0021 0.0329 0.0302
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1128 0.1542
Brugia malayi Pre-SET motif family protein 0.0017 0.0245 0.0334
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0021 0.0329 0.0082
Loa Loa (eye worm) thymidylate synthase 0.0251 0.5026 0.6868
Loa Loa (eye worm) hypothetical protein 0.0033 0.0563 0.077
Trichomonas vaginalis peroxiredoxin, putative 0.0018 0.0271 0.092
Schistosoma mansoni hypothetical protein 0.0019 0.0287 0.0392
Trichomonas vaginalis hypothetical protein 0.0021 0.0329 0.114
Onchocerca volvulus 0.0251 0.5026 1
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0021 0.0329 0.045
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0066 0.1238 0.1692
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0287 0.0392
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0021 0.0329 0.0082
Brugia malayi Cytochrome P450 family protein 0.0013 0.0161 0.0219
Schistosoma mansoni dihydrofolate reductase 0.0363 0.7317 1
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0363 0.7317 1
Plasmodium falciparum 3-oxoacyl-[acyl-carrier-protein] reductase 0.0021 0.0329 0.0374
Brugia malayi mbt repeat family protein 0.0058 0.1075 0.1469
Brugia malayi MAP kinase sur-1 0.0029 0.049 0.067
Onchocerca volvulus 0.0058 0.1075 0.2037
Echinococcus granulosus lamin 0.0033 0.0563 0.077
Mycobacterium leprae 3-OXOACYL-[ACYL-CARRIER PROTEIN] REDUCTASE FABG1 (3-KETOACYL-ACYL CARRIER PROTEIN REDUCTASE) (MYCOLIC ACID BIOSYNTHESIS A PROTEI 0.0021 0.0329 0.0082
Onchocerca volvulus 0.0033 0.0563 0.1005
Brugia malayi Protein kinase domain containing protein 0.0008 0.007 0.0096
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0287 0.0392
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0021 0.0329 0.045
Loa Loa (eye worm) oxidoreductase 0.0021 0.0329 0.045
Schistosoma mansoni serine/threonine protein kinase 0.0029 0.049 0.067
Toxoplasma gondii 2,4-dienoyl CoA reductase 2, peroxisomal family protein 0.0024 0.0396 0.045
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0017 0.0245 0.0334
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0287 0.0392
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0024 0.0396 0.0176
Echinococcus granulosus intermediate filament protein 0.0033 0.0563 0.077
Echinococcus multilocularis lamin 0.0033 0.0563 0.077
Schistosoma mansoni intermediate filament proteins 0.0033 0.0563 0.077
Loa Loa (eye worm) hypothetical protein 0.0008 0.0066 0.009
Mycobacterium ulcerans oxidoreductase 0.0021 0.0329 0.0082
Schistosoma mansoni hypothetical protein 0.0019 0.0287 0.0392
Mycobacterium tuberculosis Possible oxidoreductase 0.0021 0.0329 0.0082
Echinococcus multilocularis Ankyrin 0.0008 0.0066 0.009
Trichomonas vaginalis DNA helicase recq1, putative 0.0012 0.0146 0.0441
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.1027 0.1403
Mycobacterium ulcerans short chain dehydrogenase 0.0021 0.0329 0.0082
Schistosoma mansoni hypothetical protein 0.0019 0.0287 0.0392
Echinococcus granulosus mitogen activated protein kinase 3 0.0029 0.049 0.067
Trypanosoma brucei oxidoreductase-like protein 0.0024 0.0396 0.0369
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0021 0.0329 0.0082
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0021 0.0329 0.0082
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1128 0.1542
Trichomonas vaginalis peroxiredoxin, putative 0.0018 0.0271 0.092
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0563 0.077
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0251 0.5026 0.6748
Loa Loa (eye worm) hypothetical protein 0.0041 0.0739 0.101
Schistosoma mansoni lamin 0.0033 0.0563 0.077
Loa Loa (eye worm) hypothetical protein 0.0015 0.0207 0.0282
Echinococcus multilocularis musashi 0.0033 0.0563 0.077
Schistosoma mansoni hypothetical protein 0.0019 0.0287 0.0392
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0363 0.7317 1
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0435 0.8795 0.8851
Treponema pallidum thioredoxin 0.0018 0.0271 0.5
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0017 0.0245 0.0334
Onchocerca volvulus 0.0017 0.0245 0.0363
Entamoeba histolytica 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0021 0.0329 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1128 0.1542
Loa Loa (eye worm) RecQ helicase 0.0012 0.0146 0.0199
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.0119 0.2337 0.2632
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0029 0.049 0.0525
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0005 0.000000000046643 0.000000000053031
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0021 0.0329 0.0082
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.1027 0.1403
Echinococcus granulosus SAM and MBT domain containing protein 0.0058 0.1075 0.1469
Trichomonas vaginalis DNA helicase recq, putative 0.0012 0.0146 0.0441
Echinococcus multilocularis ankyrin repeat and death domain containing protein 0.0008 0.0065 0.0088
Toxoplasma gondii redoxin domain-containing protein 0.0072 0.136 0.1546
Echinococcus granulosus mitogen activated protein kinase 0.0029 0.049 0.067
Schistosoma mansoni hypothetical protein 0.0041 0.0739 0.101
Echinococcus multilocularis 3 oxoacyl acyl carrier protein reductase 0.0021 0.0329 0.045
Brugia malayi intermediate filament protein 0.0033 0.0563 0.077
Echinococcus multilocularis lamin dm0 0.0033 0.0563 0.077
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0118 0.2317 0.3167
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1027 0.1403
Mycobacterium ulcerans 20-beta-hydroxysteroid dehydrogenase FabG3 0.0021 0.0329 0.0082
Brugia malayi Death domain containing protein 0.0008 0.0065 0.0088
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0021 0.0329 0.0082
Mycobacterium tuberculosis Possible 20-beta-hydroxysteroid dehydrogenase FabG3 (cortisone reductase) ((R)-20-hydroxysteroid dehydrogenase) 0.0021 0.0329 0.0082
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase 0.0021 0.0329 0.0082
Loa Loa (eye worm) dihydrofolate reductase 0.0363 0.7317 1
Mycobacterium ulcerans short chain dehydrogenase 0.0021 0.0329 0.0082
Leishmania major dehydrogenase/oxidoreductase-like protein 0.0021 0.0329 0.03
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0254 0.0347
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0008 0.0065 0.0088
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0029 0.049 0.0525
Brugia malayi hypothetical protein 0.0119 0.2337 0.3194
Brugia malayi Immunoglobulin I-set domain containing protein 0.0008 0.0065 0.0088
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0017 0.0245 0.0278
Toxoplasma gondii short chain dehydrogenase family protein, putative 0.0021 0.0329 0.0374
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0227 0.4538 0.6202
Loa Loa (eye worm) hypothetical protein 0.0032 0.0551 0.0753
Mycobacterium tuberculosis Probable 3-oxoacyl-[acyl-carrier protein] reductase FabG2 (3-ketoacyl-acyl carrier protein reductase) 0.0021 0.0329 0.0082
Loa Loa (eye worm) hypothetical protein 0.0058 0.1075 0.1469
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0017 0.0245 0.0334
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0021 0.0329 0.0082
Schistosoma mansoni hypothetical protein 0.035 0.7056 0.9643
Loa Loa (eye worm) MBCTL1 0.0066 0.1238 0.1692
Mycobacterium leprae POSSIBLE OXIDOREDUCTASE 0.0021 0.0329 0.0082
Echinococcus multilocularis polycomb protein SCMH1 0.0058 0.1075 0.1469
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1027 0.1403
Plasmodium vivax peroxiredoxin, putative 0.0072 0.136 0.1483
Brugia malayi thymidylate synthase 0.0251 0.5026 0.6868
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0254 0.0347
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0066 0.1238 0.1692
Mycobacterium ulcerans 3-oxoacyl-ACP reductase 0.0021 0.0329 0.0082
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0435 0.8795 1
Brugia malayi Bloom's syndrome protein homolog 0.0012 0.0146 0.0199
Schistosoma mansoni blooms syndrome DNA helicase 0.001 0.0093 0.0128
Mycobacterium ulcerans short chain dehydrogenase 0.0021 0.0329 0.0082
Mycobacterium tuberculosis Probable oxidoreductase 0.0024 0.0396 0.0176
Echinococcus multilocularis SAM and MBT domain containing protein 0.0058 0.1075 0.1469
Schistosoma mansoni sex comb on midleg homolog 0.0058 0.1075 0.1469
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0058 0.1075 0.1469
Schistosoma mansoni netrin receptor unc5 0.0008 0.0065 0.0088
Loa Loa (eye worm) hypothetical protein 0.0015 0.0207 0.0282
Loa Loa (eye worm) hypothetical protein 0.0008 0.0065 0.0088
Leishmania major 3-oxoacyl-ACP reductase, putative 0.0021 0.0329 0.03
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0287 0.0392
Leishmania major oxidoreductase-like protein 0.0024 0.0396 0.0367
Trichomonas vaginalis CMGC family protein kinase 0.0029 0.049 0.1754
Toxoplasma gondii 3-ketoacyl-(acyl-carrier-protein) reductase 0.0021 0.0329 0.0374
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0017 0.0245 0.0334
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0563 0.077
Mycobacterium ulcerans 3-oxoacyl-ACP reductase 0.0021 0.0329 0.0082
Echinococcus granulosus Ankyrin 0.0008 0.0066 0.009
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0739 0.101
Echinococcus granulosus netrin receptor unc 5 0.0008 0.0065 0.0088
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0251 0.5026 0.6868
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0021 0.0329 0.045
Echinococcus granulosus bloom syndrome protein 0.0012 0.0146 0.0199
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0435 0.8795 1
Echinococcus granulosus histone acetyltransferase MYST2 0.0066 0.1238 0.1692
Mycobacterium tuberculosis Hypothetical protein 0.0119 0.2337 0.2932
Schistosoma mansoni lamin 0.0033 0.0563 0.077
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0016 0.0232 0.0317
Mycobacterium ulcerans short chain dehydrogenase 0.0021 0.0329 0.0082
Trichomonas vaginalis set domain proteins, putative 0.0135 0.2652 1
Trichomonas vaginalis conserved hypothetical protein 0.0119 0.2337 0.88
Echinococcus multilocularis thymidylate synthase 0.0251 0.5026 0.6868
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0435 0.8795 1
Loa Loa (eye worm) hypothetical protein 0.0066 0.1238 0.1692
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0435 0.8795 0.8792
Schistosoma mansoni ankyrin 23/unc44 0.0008 0.0065 0.0088
Leishmania major biopterin transporter, putative;with=GeneDB:LinJ35_V3.5120 0.0373 0.7522 0.7515
Brugia malayi mbt repeat family protein 0.0058 0.1075 0.1469
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0435 0.8795 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0287 0.0392
Mycobacterium ulcerans short chain dehydrogenase 0.0021 0.0329 0.0082
Echinococcus multilocularis mitogen activated protein kinase 0.0029 0.049 0.067
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.0363 0.7317 1
Schistosoma mansoni retinoblastoma-binding protein 4 (rbbp4) 0.0008 0.0066 0.009
Loa Loa (eye worm) hypothetical protein 0.001 0.0095 0.013
Onchocerca volvulus 0.0021 0.0329 0.0533
Chlamydia trachomatis dihydrofolate reductase 0.0363 0.7317 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.0251 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 7.0795 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] ChEMBL. No reference
Potency (functional) 14.1254 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.1254 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) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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

No literature references available for this target.

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