Detailed information for compound 1876278

Basic information

Technical information
  • TDR Targets ID: 1876278
  • Name: N-tert-butyl-3-[(1,1-dioxo-1,2-benzothiazol-3 -yl)-[(4-methoxyphenyl)methylideneamino]amino ]propanamide
  • MW: 442.531 | Formula: C22H26N4O4S
  • H donors: 1 H acceptors: 3 LogP: 2.5 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)/C=N/N(C1=NS(=O)(=O)c2c1cccc2)CCC(=O)NC(C)(C)C
  • InChi: 1S/C22H26N4O4S/c1-22(2,3)24-20(27)13-14-26(23-15-16-9-11-17(30-4)12-10-16)21-18-7-5-6-8-19(18)31(28,29)25-21/h5-12,15H,13-14H2,1-4H3,(H,24,27)/b23-15+
  • InChiKey: CFCQEVKFFGWUDD-HZHRSRAPSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-tert-butyl-3-[(1,1-dioxo-1,2-benzothiazol-3-yl)-[(4-methoxyphenyl)methyleneamino]amino]propanamide
  • N-tert-butyl-3-[(1,1-diketo-1,2-benzothiazol-3-yl)-[(4-methoxybenzylidene)amino]amino]propionamide
  • STK136795

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens multiple endocrine neoplasia I No references
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
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
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
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative 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
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 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 mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
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
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 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
Echinococcus multilocularis subfamily S1A unassigned peptidase (S01 family) 0.0015 0.0137 0.0122
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0975 0.3674
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0021 0.028 0.1415
Trichomonas vaginalis casein kinase II beta chain, putative 0.0076 0.1396 0.383
Trichomonas vaginalis antibiotic synthetase, putative 0.0021 0.028 0.0768
Brugia malayi PAN domain containing protein 0.0035 0.0562 0.2021
Trichomonas vaginalis casein kinase II beta chain, putative 0.0076 0.1396 0.383
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0021 0.028 0.0518
Mycobacterium ulcerans acyl-CoA synthetase 0.0021 0.028 0.0518
Onchocerca volvulus 0.0035 0.0562 0.3579
Loa Loa (eye worm) TK/ROR protein kinase 0.0054 0.0957 0.3595
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0975 0.0961
Loa Loa (eye worm) hypothetical protein 0.0015 0.0137 0.0312
Onchocerca volvulus 0.0035 0.0562 0.3579
Entamoeba histolytica acyl-CoA synthetase, putative 0.0073 0.1343 0.959
Trichomonas vaginalis casein kinase II beta chain, putative 0.0022 0.0293 0.0805
Mycobacterium ulcerans acyl-CoA synthetase 0.0073 0.1343 0.3513
Echinococcus granulosus Peptidase S1 S6 chymotrypsin Hap 0.0015 0.0137 0.0122
Loa Loa (eye worm) casein kinase II 0.0022 0.0293 0.0939
Onchocerca volvulus 0.0015 0.0137 0.0313
Loa Loa (eye worm) PAN domain-containing protein 0.0035 0.0562 0.2012
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0021 0.028 0.0518
Onchocerca volvulus 0.0015 0.0137 0.0313
Echinococcus granulosus enteropeptidase 0.0015 0.0137 0.0122
Trichomonas vaginalis casein kinase II beta chain, putative 0.0076 0.1396 0.383
Schistosoma mansoni cercarial elastase (S01 family) 0.0015 0.0137 0.0122
Schistosoma mansoni dihydropteridine reductase 0.0013 0.0096 0.0081
Entamoeba histolytica casein kinase II regulatory subunit family protein 0.0076 0.1396 1
Toxoplasma gondii hypothetical protein 0.0035 0.0562 0.0719
Brugia malayi Phosphatidylinositol-specific phospholipase C, X domain containing protein 0.0019 0.0233 0.0705
Loa Loa (eye worm) phosphatidylinositol-specific phospholipase C 0.0019 0.0233 0.0695
Loa Loa (eye worm) hypothetical protein 0.0055 0.0963 0.3618
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0073 0.1343 0.3513
Plasmodium falciparum casein kinase II beta chain 0.0076 0.1396 0.3663
Loa Loa (eye worm) hypothetical protein 0.0055 0.0963 0.3618
Trypanosoma cruzi phosphoinositide-specific phospholipase C, putative 0.0019 0.0233 0.1049
Toxoplasma gondii PAN domain-containing protein 0.0327 0.6569 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0021 0.028 0.0518
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0975 0.0961
Schistosoma mansoni cercarial elastase (S01 family) 0.0015 0.0137 0.0122
Brugia malayi AMP-binding enzyme family protein 0.0021 0.028 0.0896
Loa Loa (eye worm) hypothetical protein 0.0035 0.0562 0.2012
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0975 0.3667
Echinococcus granulosus acetyl coenzyme A synthetase cytoplasmic 0.0021 0.028 0.0265
Echinococcus granulosus laminin 0.0014 0.0129 0.0114
Brugia malayi casein kinase II, putaitve 0.0022 0.0293 0.0949
Trichomonas vaginalis hypothetical protein 0.0185 0.3645 1
Entamoeba histolytica acyl-coA synthetase, putative 0.0073 0.1343 0.959
Brugia malayi AMP-binding enzyme family protein 0.0073 0.1343 0.5147
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtE 0.0021 0.028 0.0518
Loa Loa (eye worm) hypothetical protein 0.0014 0.0129 0.028
Leishmania major phosphatidylinositol-specific phospholipase-like protein 0.0018 0.021 0.0877
Brugia malayi Csnk2b protein 0.0076 0.1396 0.536
Echinococcus granulosus Tolloid protein 1 0.0014 0.0129 0.0114
Toxoplasma gondii PAN domain-containing protein 0.0035 0.0562 0.0719
Echinococcus multilocularis cpg binding protein 0.0037 0.0593 0.0578
Plasmodium falciparum casein kinase II beta chain 0.0076 0.1396 0.3663
Brugia malayi Low-density lipoprotein receptor repeat class B containing protein 0.0014 0.0129 0.0291
Trypanosoma brucei phosphoinositide-specific phospholipase C 0.0019 0.0233 0.1049
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0021 0.028 0.0518
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.1352 0.1338
Onchocerca volvulus 0.0021 0.028 0.1415
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0013 0.0096 0.016
Toxoplasma gondii kringle domain-containing protein 0.0054 0.0957 0.133
Trichomonas vaginalis casein kinase II beta chain, putative 0.0022 0.0293 0.0805
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0132 0.2556 1
Brugia malayi PAN domain containing protein 0.0035 0.0562 0.2021
Onchocerca volvulus 0.0035 0.0552 0.3504
Brugia malayi AMP-binding enzyme family protein 0.0021 0.028 0.0896
Leishmania major phosphoinositide-specific phospholipase C, putative 0.0018 0.021 0.0877
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0975 0.0961
Toxoplasma gondii PAN domain-containing protein 0.0035 0.0562 0.0719
Mycobacterium ulcerans acyl-CoA synthetase 0.0021 0.028 0.0518
Chlamydia trachomatis enoyl-acyl-carrier protein reductase 0.0185 0.3645 1
Giardia lamblia Casein kinase II beta chain 0.0076 0.1396 1
Plasmodium falciparum phosphoinositide-specific phospholipase C 0.0018 0.021 0.0321
Brugia malayi AMP-binding enzyme family protein 0.0073 0.1343 0.5147
Onchocerca volvulus 0.0035 0.0562 0.3579
Trichomonas vaginalis casein kinase II beta chain, putative 0.0076 0.1396 0.383
Echinococcus multilocularis glycoprotein Antigen 5 0.0015 0.0137 0.0122
Toxoplasma gondii microneme protein MIC17A 0.0035 0.0562 0.0719
Loa Loa (eye worm) hypothetical protein 0.0015 0.0137 0.0312
Loa Loa (eye worm) oxidoreductase 0.0021 0.028 0.0885
Brugia malayi PAN domain containing protein 0.0035 0.0562 0.2021
Entamoeba histolytica long-chain-fatty-acid--CoA ligase, putative 0.0021 0.028 0.1415
Echinococcus multilocularis Mastin 0.0015 0.0137 0.0122
Trichomonas vaginalis casein kinase II beta chain, putative 0.0022 0.0293 0.0805
Plasmodium falciparum cysteine repeat modular protein 1 0.0054 0.0957 0.2425
Schistosoma mansoni hypothetical protein 0.0015 0.0137 0.0122
Onchocerca volvulus 0.0035 0.0562 0.3579
Echinococcus multilocularis transmembrane protease serine 3 0.0015 0.0137 0.0122
Plasmodium vivax casein kinase II beta chain, putative 0.0076 0.1396 0.3663
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0021 0.028 0.0518
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0015 0.0137 0.0122
Echinococcus granulosus cpg binding protein 0.0037 0.0593 0.0578
Trichomonas vaginalis antibiotic synthetase, putative 0.0021 0.028 0.0768
Echinococcus multilocularis dnaJ subfamily B 0.0494 1 1
Mycobacterium ulcerans bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ACP synthetase 0.0021 0.028 0.0518
Brugia malayi Trypsin family protein 0.0015 0.0137 0.0323
Trypanosoma brucei long-chain-fatty-acid-CoA ligase, putative 0.0021 0.028 0.1415
Echinococcus multilocularis enteropeptidase 0.0015 0.0137 0.0122
Trichomonas vaginalis casein kinase II beta chain, putative 0.0076 0.1396 0.383
Mycobacterium ulcerans acyl-CoA synthetase 0.0021 0.028 0.0518
Echinococcus granulosus tissue type plasminogen activator 0.0054 0.0957 0.0943
Loa Loa (eye worm) PAN domain-containing protein 0.0035 0.0562 0.2012
Loa Loa (eye worm) Csnk2b protein 0.0076 0.1396 0.5355
Loa Loa (eye worm) hypothetical protein 0.0035 0.0562 0.2012
Loa Loa (eye worm) hypothetical protein 0.0014 0.0129 0.028
Brugia malayi Trypsin family protein 0.0015 0.0137 0.0323
Echinococcus multilocularis acetyl coenzyme A synthetase, cytoplasmic 0.0021 0.028 0.0265
Brugia malayi acetyl-Coenzyme A synthetase 2 0.0021 0.028 0.0896
Echinococcus granulosus transmembrane protease serine 3 0.0015 0.0137 0.0122
Trichomonas vaginalis casein kinase II beta chain, putative 0.0022 0.0293 0.0805
Trypanosoma cruzi hypothetical protein, conserved 0.0054 0.0957 0.6619
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0021 0.028 0.0518
Loa Loa (eye worm) hypothetical protein 0.0073 0.1343 0.5142
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0059 0.0044
Brugia malayi Trypsin-like protease protein 5 0.0015 0.0137 0.0323
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0073 0.1343 0.3513
Brugia malayi PAN domain containing protein 0.0035 0.0562 0.2021
Trichomonas vaginalis casein kinase II beta chain, putative 0.0022 0.0293 0.0805
Entamoeba histolytica casein kinase II regulatory subunit family protein 0.0076 0.1396 1
Trichomonas vaginalis casein kinase II beta chain, putative 0.0022 0.0293 0.0805
Loa Loa (eye worm) hypothetical protein 0.0019 0.0233 0.0695
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0015 0.0137 0.0122
Loa Loa (eye worm) hypothetical protein 0.0019 0.0233 0.0695
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0021 0.028 0.1415
Entamoeba histolytica casein kinase II regulatory subunit family protein 0.0022 0.0293 0.1517
Leishmania major protein kinase ck2 regulatory subunit, putative 0.0076 0.1396 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0052 0.0901 0.2268
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0552 0.1973
Trichomonas vaginalis casein kinase II beta chain, putative 0.0022 0.0293 0.0805
Brugia malayi Chymotrypsin-like protease CTRL-1 precursor 0.0015 0.0137 0.0323
Entamoeba histolytica casein kinase II regulatory subunit family protein 0.0022 0.0293 0.1517
Trichomonas vaginalis protein kinase ck2-beta, putative 0.0022 0.0293 0.0805
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0059 0.0044
Toxoplasma gondii subtilisin SUB12 0.0035 0.0562 0.0719
Trichomonas vaginalis protein kinase ck2-beta, putative 0.0022 0.0293 0.0805
Leishmania major 4-coumarate:coa ligase-like protein 0.0073 0.1343 0.959
Loa Loa (eye worm) PAN domain-containing protein 0.0035 0.0562 0.2012
Toxoplasma gondii PAN domain-containing protein 0.0327 0.6569 1
Trichomonas vaginalis casein kinase II beta chain, putative 0.0022 0.0293 0.0805
Loa Loa (eye worm) hypothetical protein 0.0015 0.0137 0.0312
Plasmodium falciparum acyl-CoA synthetase 0.0055 0.0963 0.2441
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0975 0.0961
Loa Loa (eye worm) hypothetical protein 0.0014 0.0129 0.028
Echinococcus multilocularis Tolloid protein 1 0.0014 0.0129 0.0114
Plasmodium vivax phospholipase C-like, putative 0.0018 0.021 0.0321
Loa Loa (eye worm) PAN domain-containing protein 0.0035 0.0562 0.2012
Onchocerca volvulus Casein kinase II subunit beta homolog 0.0076 0.1396 1
Echinococcus multilocularis casein kinase ii subunit beta 0.0076 0.1396 0.1383
Brugia malayi AMP-binding enzyme family protein 0.0021 0.028 0.0896
Onchocerca volvulus 0.0054 0.0957 0.6619
Mycobacterium leprae Probable fatty-acid-CoA synthetase FadD22 (fatty-acid-CoA ligase) (fatty-acid-CoA synthase) 0.0021 0.028 0.0518
Trichomonas vaginalis casein kinase II beta chain, putative 0.0076 0.1396 0.383
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0015 0.0137 0.0122
Brugia malayi Calcium binding EGF domain containing protein 0.0014 0.0129 0.0291
Loa Loa (eye worm) hypothetical protein 0.0035 0.0562 0.2012
Loa Loa (eye worm) hypothetical protein 0.0035 0.0562 0.2012
Brugia malayi Phosphatidylinositol-specific phospholipase C, X domain containing protein 0.0018 0.021 0.0616
Schistosoma mansoni cpg binding protein 0.0035 0.0552 0.0537
Plasmodium vivax acyl-CoA synthetase, putative 0.0055 0.0963 0.2441
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0975 0.0961
Schistosoma mansoni phospholipase C beta 0.0018 0.021 0.0195
Mycobacterium ulcerans acyl-CoA synthetase 0.0073 0.1343 0.3513
Onchocerca volvulus 0.0015 0.0137 0.0313
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0052 0.0901 0.2268
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0055 0.0963 0.2441
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0975 0.0961
Echinococcus granulosus glycoprotein Antigen 5 0.0015 0.0137 0.0122
Onchocerca volvulus 0.0019 0.0233 0.1049
Onchocerca volvulus 0.0035 0.0562 0.3579
Toxoplasma gondii microneme protein MIC17B 0.0035 0.0562 0.0719
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0073 0.1343 0.3513
Mycobacterium ulcerans acyl-CoA synthetase 0.0021 0.028 0.0518
Toxoplasma gondii PAN domain-containing protein 0.0035 0.0562 0.0719
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.0185 0.3645 1
Trichomonas vaginalis casein kinase II beta chain, putative 0.0076 0.1396 0.383
Leishmania major long-chain-fatty-acid-CoA ligase, putative 0.0021 0.028 0.1415
Toxoplasma gondii 1,3(4)-beta-glucanase 0.0035 0.0562 0.0719
Toxoplasma gondii ck2 beta subunit 0.0076 0.1396 0.2009
Mycobacterium ulcerans phenyloxazoline synthase MbtB 0.0021 0.028 0.0518
Brugia malayi PAN domain containing protein 0.0035 0.0562 0.2021
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.0185 0.3645 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0073 0.1343 0.959
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0021 0.028 0.1415
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0021 0.028 0.0885
Trichomonas vaginalis casein kinase II beta chain, putative 0.0076 0.1396 0.383
Schistosoma mansoni cercarial elastase (S01 family) 0.0015 0.0137 0.0122
Brugia malayi Variant SH3 domain containing protein 0.0132 0.2556 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0015 0.0137 0.0122
Trichomonas vaginalis casein kinase II beta chain, putative 0.0022 0.0293 0.0805
Brugia malayi PAN domain containing protein 0.0035 0.0562 0.2021
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.119 0.169
Brugia malayi hypothetical protein 0.0015 0.0137 0.0323
Mycobacterium ulcerans hypothetical protein 0.0073 0.1343 0.3513
Trichomonas vaginalis casein kinase II beta chain, putative 0.0022 0.0293 0.0805
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0073 0.1343 0.3513
Brugia malayi PAN domain containing protein 0.0035 0.0562 0.2021
Mycobacterium ulcerans acetyl-CoA synthetase 0.0021 0.028 0.0518
Leishmania major hypothetical protein, conserved 0.0054 0.0957 0.6619
Mycobacterium ulcerans hypothetical protein 0.0015 0.0137 0.0115
Loa Loa (eye worm) hypothetical protein 0.0035 0.0562 0.2012
Brugia malayi Kringle domain containing protein 0.0054 0.0957 0.3602
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0021 0.028 0.0518
Onchocerca volvulus 0.0015 0.0137 0.0313
Schistosoma mansoni 3-oxoacyl-[ACP] reductase 0.0013 0.0096 0.0081
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0975 0.0961
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0052 0.0901 0.2268
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0021 0.028 0.0518
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtF 0.0021 0.028 0.0518
Schistosoma mansoni cercarial elastase (S01 family) 0.0015 0.0137 0.0122
Toxoplasma gondii enoyl-acyl carrier reductase ENR 0.0185 0.3645 0.5483
Echinococcus multilocularis fibrillin 1 0.0014 0.0129 0.0114
Loa Loa (eye worm) hypothetical protein 0.0055 0.0963 0.3618
Schistosoma mansoni cercarial elastase (S01 family) 0.0015 0.0137 0.0122
Toxoplasma gondii PAN/Apple domain-containing protein 0.0035 0.0562 0.0719
Onchocerca volvulus 0.0035 0.0562 0.3579
Onchocerca volvulus 0.0021 0.028 0.1415
Onchocerca volvulus 0.0015 0.0137 0.0313
Onchocerca volvulus 0.0035 0.0562 0.3579
Schistosoma mansoni cercarial elastase (S01 family) 0.0015 0.0137 0.0122
Trichomonas vaginalis casein kinase II beta chain, putative 0.0022 0.0293 0.0805
Echinococcus multilocularis Peptidase S1 S6, chymotrypsin Hap 0.0015 0.0137 0.0122
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0021 0.028 0.0518
Trypanosoma brucei acetyl-CoA synthetase, putative 0.0021 0.028 0.1415
Loa Loa (eye worm) hypothetical protein 0.0073 0.1343 0.5142
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0054 0.0957 0.2425
Loa Loa (eye worm) hypothetical protein 0.0013 0.0096 0.0149
Loa Loa (eye worm) retinol dehydrogenase 12 0.0013 0.0096 0.0149
Onchocerca volvulus 0.0073 0.1343 0.959
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0021 0.028 0.1415
Trichomonas vaginalis casein kinase II beta chain, putative 0.0076 0.1396 0.383
Trypanosoma brucei Casein kinase II subunit beta, putative 0.0076 0.1396 1
Plasmodium vivax enoyl-acyl carrier protein reductase 0.0185 0.3645 1
Echinococcus multilocularis 1 phosphatidylinositol 4,5 bisphosphate 0.0019 0.0233 0.0217
Mycobacterium tuberculosis PROBABLE FATTY-ACID-CoA LIGASE FADD18 (FRAGMENT) (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0018 0.0219 0.0345
Brugia malayi PAN domain containing protein 0.0035 0.0562 0.2021
Mycobacterium ulcerans acyl-CoA synthetase 0.0021 0.028 0.0518
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase 0.0185 0.3645 1
Loa Loa (eye worm) PAN domain-containing protein 0.0035 0.0562 0.2012
Brugia malayi Trypsin family protein 0.0015 0.0137 0.0323
Echinococcus granulosus casein kinase ii subunit beta 0.0076 0.1396 0.1383
Loa Loa (eye worm) hypothetical protein 0.0054 0.0957 0.3595
Loa Loa (eye worm) hypothetical protein 0.0015 0.0137 0.0312
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0015 0.0137 0.0122
Trichomonas vaginalis casein kinase II beta chain, putative 0.0076 0.1396 0.383
Schistosoma mansoni cercarial elastase (S01 family) 0.0015 0.0137 0.0122
Leishmania major 4-coumarate:coa ligase-like protein 0.0073 0.1343 0.959
Toxoplasma gondii Acetyl-coenzyme A synthetase 2, putative 0.0021 0.028 0.0284
Loa Loa (eye worm) low-density lipoprotein receptor repeat class B containing protein 0.0014 0.0129 0.028
Onchocerca volvulus Casein kinase II subunit beta homolog 0.0076 0.1396 1
Onchocerca volvulus Arrow homolog 0.0014 0.0129 0.0253
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0021 0.028 0.0518
Loa Loa (eye worm) hypothetical protein 0.0015 0.0137 0.0312
Schistosoma mansoni cercarial elastase (S01 family) 0.0015 0.0137 0.0122
Leishmania major acetyl-CoA synthetase, putative 0.0021 0.028 0.1415
Onchocerca volvulus 0.0035 0.0562 0.3579
Loa Loa (eye worm) hypothetical protein 0.0018 0.021 0.0605
Echinococcus granulosus 1-Phosphatidylinositol-4,5-bisphosphate phosphodiesterase beta-4 0.0019 0.0233 0.0217
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0073 0.1343 0.3513
Schistosoma mansoni casein kinase II beta subunit 0.0076 0.1396 0.1383
Brugia malayi PAN domain containing protein 0.0035 0.0562 0.2021
Loa Loa (eye worm) hypothetical protein 0.0021 0.028 0.0885
Trichomonas vaginalis casein kinase II beta chain, putative 0.0022 0.0293 0.0805
Schistosoma mansoni cercarial elastase (S01 family) 0.0015 0.0137 0.0122
Loa Loa (eye worm) hypothetical protein 0.0055 0.0963 0.3618
Schistosoma mansoni subfamily M12A unassigned peptidase (M12 family) 0.0014 0.0129 0.0114
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0021 0.028 0.0896
Trypanosoma cruzi Casein kinase II subunit beta, putative 0.0076 0.1396 1
Brugia malayi phospholipase C homolog 0.0012 0.0076 0.0079
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0013 0.0096 0.0149
Schistosoma mansoni phospholipase C-like protein 2 plc-L2 0.0012 0.0076 0.006
Schistosoma mansoni acetyl-CoA synthetase 0.0021 0.028 0.0265
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0055 0.0963 0.2441
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0073 0.1343 0.3513
Schistosoma mansoni hypothetical protein 0.0494 1 1
Brugia malayi AMP-binding enzyme family protein 0.0021 0.028 0.0896
Loa Loa (eye worm) hypothetical protein 0.0015 0.0137 0.0312
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0052 0.0901 0.2268
Mycobacterium leprae POSSIBLE O-SUCCINYLBENZOIC ACID--CoA LIGASE MENE (OSB-CoA SYNTHETASE) (O-SUCCINYLBENZOATE-CoA SYNTHASE) 0.0021 0.028 0.0518
Trichomonas vaginalis casein kinase II beta chain, putative 0.0076 0.1396 0.383
Schistosoma mansoni cpg binding protein 0.0037 0.0593 0.0578
Echinococcus multilocularis laminin 0.0014 0.0129 0.0114
Echinococcus granulosus 3 oxoacyl acyl carrier protein reductase 0.0013 0.0096 0.0081
Mycobacterium leprae POSSIBLE FATTY-ACID-CoA LIGASE FADD10 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0021 0.028 0.0518
Trichomonas vaginalis casein kinase II beta chain, putative 0.0076 0.1396 0.383
Loa Loa (eye worm) hypothetical protein 0.0035 0.0562 0.2012
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0015 0.0137 0.0122
Loa Loa (eye worm) hypothetical protein 0.0015 0.0137 0.0312
Leishmania major acetyl-CoA synthetase, putative 0.0021 0.028 0.1415
Trichomonas vaginalis casein kinase II beta chain, putative 0.0076 0.1396 0.383
Trichomonas vaginalis casein kinase II beta chain, putative 0.0022 0.0293 0.0805
Toxoplasma gondii microneme protein MIC4 0.0035 0.0562 0.0719
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0015 0.0137 0.0122
Brugia malayi 1-phosphatidylinositol-4,5-bisphosphate phosphodiesterase beta 4 0.0018 0.021 0.0616
Onchocerca volvulus 0.0021 0.028 0.1415
Onchocerca volvulus 0.0035 0.0562 0.3579
Schistosoma mansoni cpg binding protein 0.0037 0.0593 0.0578
Echinococcus granulosus Mastin 0.0015 0.0137 0.0122
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0021 0.028 0.0284
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0013 0.0096 0.016
Loa Loa (eye worm) hypothetical protein 0.0021 0.028 0.0885
Mycobacterium ulcerans acyl-CoA synthetase 0.0073 0.1343 0.3513
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0021 0.028 0.0518
Brugia malayi CXXC zinc finger family protein 0.0035 0.0552 0.1982
Brugia malayi PAN domain containing protein 0.0035 0.0562 0.2021
Toxoplasma gondii propionate-CoA ligase 0.0021 0.028 0.0284
Echinococcus multilocularis tissue type plasminogen activator 0.0054 0.0957 0.0943
Brugia malayi Trypsin family protein 0.0015 0.0137 0.0323
Loa Loa (eye worm) multiple epidermal growth factor-like domains 6 0.0014 0.0129 0.028
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0055 0.0963 0.2441
Loa Loa (eye worm) hypothetical protein 0.0073 0.1343 0.5142
Schistosoma mansoni cercarial elastase (S01 family) 0.0015 0.0137 0.0122
Schistosoma mansoni cercarial elastase (S01 family) 0.0015 0.0137 0.0122
Schistosoma mansoni egf-like domain protein 0.0014 0.0129 0.0114
Loa Loa (eye worm) bone morphogenetic protein 1b 0.0014 0.0129 0.028
Onchocerca volvulus 0.0015 0.0137 0.0313
Toxoplasma gondii hypothetical protein 0.0035 0.0562 0.0719
Loa Loa (eye worm) Plcb4 protein 0.0018 0.021 0.0605
Trypanosoma cruzi Casein kinase II subunit beta, putative 0.0076 0.1396 1
Trichomonas vaginalis casein kinase II beta chain, putative 0.0076 0.1396 0.383
Loa Loa (eye worm) trypsin family protein 0.0015 0.0137 0.0312
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0021 0.028 0.0518
Toxoplasma gondii microneme protein MIC17C 0.0035 0.0562 0.0719
Leishmania major 4-coumarate:coa ligase-like protein 0.0073 0.1343 0.959
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0073 0.1343 0.3513
Echinococcus multilocularis 3 oxoacyl acyl carrier protein reductase 0.0013 0.0096 0.0081
Schistosoma mansoni hypothetical protein 0.0054 0.0957 0.0943
Toxoplasma gondii calcium binding egf domain-containing protein 0.0014 0.0129 0.0051
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0015 0.0137 0.0122
Mycobacterium ulcerans acyl-CoA synthetase 0.0021 0.028 0.0518
Plasmodium falciparum enoyl-acyl carrier reductase 0.0185 0.3645 1
Trichomonas vaginalis casein kinase II beta chain, putative 0.0076 0.1396 0.383
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0021 0.028 0.0885
Toxoplasma gondii PAN domain-containing protein 0.0035 0.0562 0.0719
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) 0.0185 0.3645 1
Plasmodium vivax casein kinase II beta chain, putative 0.0076 0.1396 0.3663
Mycobacterium ulcerans acyl-CoA synthetase 0.0021 0.028 0.0518
Loa Loa (eye worm) hypothetical protein 0.0035 0.0562 0.2012
Onchocerca volvulus 0.0035 0.0562 0.3579
Onchocerca volvulus 0.0019 0.0233 0.1049
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0073 0.1343 0.3513
Toxoplasma gondii microneme protein, putative 0.0035 0.0562 0.0719
Toxoplasma gondii phosphoinositide phospholipase PIPLC 0.0019 0.0233 0.0211
Leishmania major phospholipase c-like protein 0.0019 0.0233 0.1049
Brugia malayi Fibulin-1 precursor 0.0014 0.0129 0.0291
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0021 0.028 0.0518
Entamoeba histolytica casein kinase II regulatory subunit family protein 0.0076 0.1396 1
Loa Loa (eye worm) oxidoreductase 0.0013 0.0096 0.0149
Mycobacterium ulcerans long-chain-acyl-CoA synthetase 0.0021 0.028 0.0518
Onchocerca volvulus 0.0021 0.028 0.1415
Schistosoma mansoni hypothetical protein 0.0015 0.0137 0.0122
Brugia malayi Protein kinase domain containing protein 0.0054 0.0957 0.3602
Plasmodium vivax acetyl-CoA synthetase, putative 0.0021 0.028 0.0518
Loa Loa (eye worm) hypothetical protein 0.0014 0.0129 0.028
Mycobacterium ulcerans O-succinylbenzoic acid--CoA ligase 0.0021 0.028 0.0518
Toxoplasma gondii casein kinase ii regulatory subunit protein 0.0076 0.1396 0.2009
Loa Loa (eye worm) hypothetical protein 0.0055 0.0963 0.3618
Plasmodium falciparum acetyl-CoA synthetase, putative 0.0021 0.028 0.0518
Toxoplasma gondii calcium binding egf domain-containing protein 0.0014 0.0129 0.0051
Brugia malayi AMP-binding enzyme family protein 0.0073 0.1343 0.5147
Mycobacterium ulcerans peptide synthetase Nrp (peptide synthase) 0.0021 0.028 0.0518
Onchocerca volvulus 0.0035 0.0562 0.3579
Loa Loa (eye worm) hypothetical protein 0.0014 0.0129 0.028
Echinococcus granulosus subfamily S1A unassigned peptidase S01 family 0.0015 0.0137 0.0122

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 6.5733 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 11.6891 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) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.1254 uM PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.0999 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of N370S glucocerebrosidase as a Potential Chaperone Treatment of Gaucher Disease. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1473, AID2293, AID2577, AID2578, AID2587, AID2588, AID2589, AID2590, AID2592, AID2593, AID2595, AID2596, AID2597, AID2613, AID2671, AID488845] ChEMBL. No reference
Potency (functional) 32.6427 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 125.8925 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] 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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