Detailed information for compound 1409665

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 442.938 | Formula: C21H15ClN2O3S2
  • H donors: 1 H acceptors: 3 LogP: 4.57 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(c(c1)N=C1C=C(NS(=O)(=O)c2cccs2)c2c(C1=O)cccc2)C
  • InChi: 1S/C21H15ClN2O3S2/c1-13-8-9-14(22)11-17(13)23-19-12-18(15-5-2-3-6-16(15)21(19)25)24-29(26,27)20-7-4-10-28-20/h2-12,24H,1H3
  • InChiKey: QJMNVKFKIADDKH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens synuclein, alpha (non A4 component of amyloid precursor) Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens breast cancer 1, early onset Starlite/ChEMBL No references
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references
Homo sapiens paired box 8 Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed), eta Starlite/ChEMBL No references
Homo sapiens chromobox homolog 1 Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references
Homo sapiens ubiquitin specific peptidase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Brugia malayi ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
Brugia malayi Pax transcription factor protein 2 Get druggable targets OG5_139945 All targets in OG5_139945
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Trypanosoma brucei isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi Heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus multilocularis dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
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
Leishmania infantum isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Neospora caninum Pc21g17280 protein, related Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
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
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Leishmania donovani isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi Isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
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 NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Cryptosporidium parvum DinB/family X-type DNA polymerase Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma japonicum ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum Chromobox protein homolog 5, putative Get druggable targets OG5_129545 All targets in OG5_129545
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans similar to S. cerevisiae DNA polymerase pol-eta, involved in the bypass of distorted DNA lesions Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania mexicana Get druggable targets OG5_128521 All targets in OG5_128521
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Leishmania mexicana DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Theileria parva hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Trypanosoma brucei gambiense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
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_127917 All targets in OG5_127917
Plasmodium knowlesi isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Onchocerca volvulus Get druggable targets OG5_139945 All targets in OG5_139945
Candida albicans similar to S. cerevisiae DNA polymerase pol-eta, involved in the bypass of distorted DNA lesions Get druggable targets OG5_128521 All targets in OG5_128521
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Toxoplasma gondii ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Neospora caninum Isocitrate dehydrogenase-like protein, related Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum hypothetical protein Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Onchocerca volvulus Heterochromatin protein 1 homolog Get druggable targets OG5_129545 All targets in OG5_129545
Trypanosoma brucei gambiense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Babesia bovis isocitrate dehydrogenase, NADP-dependent family protein Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania braziliensis isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Leishmania mexicana isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Onchocerca volvulus Get druggable targets OG5_129545 All targets in OG5_129545
Trypanosoma congolense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Loa Loa (eye worm) pax transcription factor protein 2 Get druggable targets OG5_139945 All targets in OG5_139945
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium berghei isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma cruzi isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans N terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma mansoni DNA polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Theileria parva isocitrate dehydrogenase (NADP+), putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans C terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
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 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0407 0.0262
Loa Loa (eye worm) hypothetical protein 0.0041 0.0335 0.0335
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.0506 0.1218
Trypanosoma cruzi casein kinase, delta isoform, putative 0.0157 0.3959 0.9524
Giardia lamblia Kinase, CMGC GSK 0.0106 0.235 0.2234
Loa Loa (eye worm) jmjC domain-containing protein 0.0043 0.0381 0.0381
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0932 0.0932
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.0506 0.1218
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0149 0.0359
Schistosoma mansoni serine/threonine protein kinase 0.0131 0.3144 0.304
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0381 0.0235
Trypanosoma brucei DNA polymerase kappa, putative 0.0032 0.0053 0.0128
Echinococcus granulosus protein kinase shaggy 0.0106 0.235 0.2234
Schistosoma mansoni jumonji domain containing protein 0.0092 0.1915 0.1793
Loa Loa (eye worm) pax transcription factor protein 2 0.0291 0.8147 0.8147
Echinococcus granulosus chromobox protein 1 0.0084 0.1681 0.1555
Trichomonas vaginalis chromobox protein, putative 0.0084 0.1681 0.1604
Echinococcus granulosus geminin 0.0205 0.5454 0.5385
Brugia malayi casein kinase I 0.0163 0.4157 0.4157
Trichomonas vaginalis chromobox protein, putative 0.0084 0.1681 0.1604
Echinococcus granulosus jumonji domain containing protein 0.0049 0.0581 0.0438
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0932 0.0932
Trichomonas vaginalis CK1 family protein kinase 0.0163 0.4157 0.4102
Leishmania major DNA polymerase eta, putative 0.0045 0.0463 0.1114
Echinococcus multilocularis chromobox protein 1 0.0084 0.1681 0.1555
Trypanosoma cruzi casein kinase, delta isoform, putative 0.0163 0.4157 1
Brugia malayi Bromodomain containing protein 0.0035 0.0149 0.0149
Brugia malayi Pax transcription factor protein 2 0.0291 0.8147 0.8147
Trypanosoma cruzi DNA polymerase kappa, putative 0.0047 0.0506 0.1218
Schistosoma mansoni hypothetical protein 0.0043 0.0407 0.0262
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0932 0.0932
Brugia malayi intracellular kinase 0.0106 0.235 0.235
Echinococcus multilocularis casein kinase I alpha 0.0163 0.4157 0.4068
Trichomonas vaginalis CMGC family protein kinase 0.0106 0.235 0.2279
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0047 0.0506 0.1218
Giardia lamblia DINP protein human, muc B family 0.0047 0.0506 0.0362
Toxoplasma gondii cell-cycle-associated protein kinase GSK, putative 0.0106 0.235 0.5654
Echinococcus granulosus casein kinase I alpha 0.0163 0.4157 0.4068
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.0506 0.1218
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0636 0.0548
Mycobacterium tuberculosis Conserved hypothetical protein 0.0047 0.0506 0.5
Loa Loa (eye worm) hypothetical protein 0.006 0.0932 0.0932
Trichomonas vaginalis CK1 family protein kinase 0.0163 0.4157 0.4102
Onchocerca volvulus 0.0291 0.8147 0.8119
Echinococcus multilocularis dna polymerase kappa 0.0047 0.0506 0.0362
Loa Loa (eye worm) hypothetical protein 0.0077 0.1469 0.1469
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0047 0.0506 0.0506
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0776 0.0637
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0776 0.0637
Schistosoma mansoni hypothetical protein 0.0041 0.0335 0.0189
Trypanosoma brucei unspecified product 0.0032 0.0053 0.0128
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 0.0106 0.235 0.5654
Trypanosoma cruzi DNA polymerase eta, putative 0.0077 0.1469 0.3535
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.0506 0.1218
Echinococcus granulosus chromobox protein 1 0.0084 0.1681 0.1555
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0047 0.0524 0.038
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.0506 0.1218
Trypanosoma brucei protein kinase, putative 0.0106 0.235 0.5654
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0149 0.0359
Brugia malayi casein kinase 1, delta 0.0163 0.4157 0.4157
Echinococcus multilocularis glycogen synthase kinase 3 beta 0.0106 0.235 0.2234
Echinococcus multilocularis casein kinase i 0.0163 0.4157 0.4068
Trypanosoma cruzi casein kinase, putative 0.0163 0.4157 1
Trypanosoma brucei unspecified product 0.0032 0.0053 0.0128
Leishmania major DNA polymerase kappa, putative 0.0047 0.0506 0.1218
Plasmodium falciparum casein kinase 1 0.0163 0.4157 1
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.0106 0.235 0.2234
Trypanosoma cruzi DNA polymerase kappa, putative 0.0047 0.0506 0.1218
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.1323 0.1323
Echinococcus multilocularis casein kinase I alpha 0.0163 0.4157 0.4068
Brugia malayi jmjC domain containing protein 0.0043 0.0381 0.0381
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.0506 0.1218
Schistosoma mansoni hypothetical protein 0.0205 0.5454 0.5385
Brugia malayi ImpB/MucB/SamB family protein 0.0077 0.1469 0.1469
Leishmania major DNA polymerase eta, putative 0.0077 0.1469 0.3535
Echinococcus granulosus CDC7 cell division cycle 7 0.035 1 1
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0149 0.0359
Loa Loa (eye worm) hypothetical protein 0.006 0.0937 0.0937
Giardia lamblia Kinase, CK1 Casein kinase 0.0163 0.4157 0.4068
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.0381 0.0235
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0776 0.0637
Echinococcus multilocularis casein kinase I delta 0.0163 0.4157 0.4068
Brugia malayi chromobox protein homolog 3 0.0047 0.0524 0.0524
Echinococcus multilocularis geminin 0.0205 0.5454 0.5385
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0407 0.0262
Echinococcus granulosus glycogen synthase kinase 3 beta 0.0106 0.235 0.2234
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.0506 0.1218
Onchocerca volvulus 0.0157 0.3959 0.3867
Onchocerca volvulus 0.0106 0.235 0.2234
Trypanosoma brucei DNA polymerase IV, putative 0.0047 0.0506 0.1218
Echinococcus granulosus dna polymerase eta 0.0077 0.1469 0.134
Loa Loa (eye worm) hypothetical protein 0.0037 0.0205 0.0205
Trichomonas vaginalis CMGC family protein kinase 0.0106 0.235 0.2279
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0047 0.0506 0.5
Trypanosoma cruzi DNA polymerase kappa, putative 0.0047 0.0506 0.1218
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0407 0.0262
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0047 0.0506 0.0362
Trichomonas vaginalis CK1 family protein kinase 0.0163 0.4157 0.4102
Schistosoma mansoni chromobox protein 0.0084 0.1681 0.1555
Schistosoma mansoni chromobox protein 0.0084 0.1681 0.1555
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0106 0.235 0.235
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.0149 0.0149
Onchocerca volvulus 0.0037 0.0205 0.0056
Trypanosoma cruzi casein kinase, putative 0.0163 0.4157 1
Echinococcus granulosus casein kinase I alpha 0.0163 0.4157 0.4068
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0776 0.0637
Echinococcus granulosus lysine specific demethylase 5A 0.0043 0.0381 0.0235
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0106 0.235 0.235
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0776 0.0637
Echinococcus granulosus casein kinase I delta 0.0163 0.4157 0.4068
Trypanosoma brucei DNA polymerase eta, putative 0.0077 0.1469 0.3535
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0776 0.0776
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.0506 0.1218
Echinococcus multilocularis protein kinase shaggy 0.0106 0.235 0.2234
Entamoeba histolytica protein kinase, putative 0.0106 0.235 0.5182
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0051 0.0636 0.0494
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0524 0.0435
Brugia malayi Protein kinase domain containing protein 0.0131 0.3144 0.3144
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.2657 0.2546
Loa Loa (eye worm) protein kinase domain-containing protein 0.0131 0.3144 0.3144
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0636 0.0548
Entamoeba histolytica protein kinase domain containing protein 0.0106 0.235 0.5182
Trypanosoma brucei DNA polymerase IV, putative 0.0047 0.0506 0.1218
Trypanosoma brucei DNA polymerase IV, putative 0.0047 0.0506 0.1218
Brugia malayi hypothetical protein 0.0043 0.0407 0.0407
Loa Loa (eye worm) hypothetical protein 0.0047 0.0524 0.0524
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.0506 0.1218
Schistosoma mansoni serine/threonine protein kinase 0.035 1 1
Entamoeba histolytica casein kinase 1, putative 0.0163 0.4157 1
Entamoeba histolytica protein kinase domain containing protein 0.0106 0.235 0.5182
Echinococcus granulosus casein kinase i 0.0163 0.4157 0.4068
Toxoplasma gondii casein kinase I 0.0163 0.4157 1
Onchocerca volvulus 0.0163 0.4157 0.4068
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.0506 0.1218
Echinococcus granulosus casein kinase I gamma 0.0131 0.3144 0.304
Trypanosoma brucei unspecified product 0.0047 0.0506 0.1218
Loa Loa (eye worm) CDC7 protein kinase 0.035 1 1
Trypanosoma cruzi casein kinase, putative 0.0163 0.4157 1
Loa Loa (eye worm) CK1/CK1/CK1-A protein kinase 0.0163 0.4157 0.4157
Plasmodium falciparum glycogen synthase kinase 3 0.0106 0.235 0.5654
Trypanosoma cruzi DNA polymerase eta, putative 0.0045 0.0463 0.1114
Echinococcus multilocularis casein kinase I delta 0.0163 0.4157 0.4068
Trypanosoma cruzi DNA polymerase kappa, putative 0.0047 0.0506 0.1218
Plasmodium vivax casein kinase 1, putative 0.0163 0.4157 1
Brugia malayi jmjC domain containing protein 0.0115 0.2657 0.2657
Loa Loa (eye worm) CK1/CK1/CK1-A protein kinase 0.0163 0.4157 0.4157
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0524 0.0435
Brugia malayi ImpB/MucB/SamB family protein 0.0047 0.0506 0.0506
Entamoeba histolytica casein kinase, putative 0.0163 0.4157 1
Onchocerca volvulus 0.035 1 1
Echinococcus multilocularis casein kinase I alpha 0.0163 0.4157 0.4068
Giardia lamblia Kinase, CMGC GSK 0.0106 0.235 0.2234
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0047 0.0506 0.0362
Brugia malayi Heterochromatin protein 1 0.0084 0.1681 0.1681
Schistosoma mansoni terminal deoxycytidyl transferase 0.0047 0.0506 0.0362
Echinococcus granulosus casein kinase I delta 0.0163 0.4157 0.4068
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0776 0.0776
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0381 0.0235
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.0581 0.0438
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0335 0.0335
Trypanosoma brucei DNA polymerase kappa, putative 0.0032 0.0053 0.0128
Echinococcus multilocularis chromobox protein 1 0.0084 0.1681 0.1555
Trypanosoma brucei DNA polymerase kappa, putative 0.0032 0.0053 0.0128
Brugia malayi PHD-finger family protein 0.0035 0.0149 0.0149
Leishmania major casein kinase, putative 0.0163 0.4157 1
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0047 0.0506 0.0362
Entamoeba histolytica deoxycytidyl transferase, putative 0.0047 0.0506 0.0264
Loa Loa (eye worm) CK1/CK1/CK1-D protein kinase 0.0163 0.4157 0.4157
Plasmodium falciparum phd finger protein, putative 0.0035 0.0149 0.0359
Trichomonas vaginalis DNA polymerase eta, putative 0.0047 0.0506 0.0418
Schistosoma mansoni hypothetical protein 0.0205 0.5454 0.5385
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0776 0.0637
Mycobacterium ulcerans DNA polymerase IV 0.0047 0.0506 0.5
Echinococcus multilocularis dna polymerase eta 0.0077 0.1469 0.134
Onchocerca volvulus 0.035 1 1
Mycobacterium ulcerans DNA polymerase IV 0.0047 0.0506 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0776 0.0637
Giardia lamblia Kinase, CDC7 0.035 1 1
Trichomonas vaginalis CMGC family protein kinase 0.035 1 1
Loa Loa (eye worm) casein kinase 0.0125 0.2946 0.2946
Trichomonas vaginalis CMGC family protein kinase 0.035 1 1
Echinococcus granulosus dna polymerase kappa 0.0047 0.0506 0.0362
Echinococcus multilocularis CDC7 cell division cycle 7 0.035 1 1
Schistosoma mansoni protein kinase 0.0163 0.4157 0.4068
Loa Loa (eye worm) heterochromatin protein 1 0.0084 0.1681 0.1681
Trypanosoma cruzi casein kinase, putative 0.0163 0.4157 1
Trypanosoma cruzi casein kinase, putative 0.0163 0.4157 1
Echinococcus multilocularis casein kinase I gamma 0.0131 0.3144 0.304
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0047 0.0506 0.0418
Echinococcus granulosus casein kinase I alpha 0.0163 0.4157 0.4068
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0045 0.0463 0.1114
Plasmodium vivax glycogen synthase kinase 3, putative 0.0106 0.235 0.5654
Loa Loa (eye worm) hypothetical protein 0.0035 0.0149 0.0149
Schistosoma mansoni DNA polymerase eta 0.0077 0.1469 0.134
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.2657 0.2546
Trypanosoma brucei casein kinase I, isoform 2 0.0163 0.4157 1
Trichomonas vaginalis CMGC family protein kinase 0.035 1 1
Schistosoma mansoni serine/threonine protein kinase 0.0163 0.4157 0.4068
Trypanosoma cruzi glycogen synthase kinase 3, putative 0.0106 0.235 0.5654

Activities

Activity type Activity value Assay description Source Reference
AbsAC1000_uM (functional) = 6.425 uM PUBCHEM_BIOASSAY: In vivo-based yeast HTS to detect compounds rescuing yeast growth/survival of Plasmodium Falciparum HSP40-mediated toxicity Measured in Whole Organism System Using Plate Reader - 2120-01_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504552] ChEMBL. No reference
AbsAC35 (functional) = 0.0436 uM PubChem BioAssay. Cell-based secondary assay to test the inhibitory activity of small molecule on Plasmodium flaciparum (3D7 strain) survival in red blood cells Measured in Cell-Based System Using Plate Reader - 2120-05_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) ChEMBL. No reference
AbsAC35 (functional) = 0.119 uM PubChem BioAssay. Cell-based secondary assay to test the inhibitory activity of small molecule on Plasmodium flaciparum (HB3 strain) survival in red blood cells Measured in Cell-Based System Using Plate Reader - 2120-06_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) ChEMBL. No reference
AC50 (functional) = 4.82 uM PubChem BioAssay. HTS for PAX8 inhibitors using PAX8 luciferase reporter gene assay in RMG-I cells Measured in Cell-Based System Using Plate Reader - 7054-01_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) = 31.7 uM PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors of Plasmodium falciparum Glucose-6-phosphate dehydrogenase via a fluorescence intensity assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504690, AID504696] ChEMBL. No reference
IC50 (functional) > 80 uM PUBCHEM_BIOASSAY: Human Glucose-6-Phosphate Dehydrogenase Dose Response Selectivity Assay for Inhibitors of Plasmodium falciparum Glucose-6-Phosphate Dehydrogenase. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504690, AID504696] ChEMBL. No reference
IC50 (functional) > 80 uM PUBCHEM_BIOASSAY: Dose Response orthogonal assay utilizing the direct end-point detection of NADPH for uHTS small molecule inhibitors of Plasmodium falciparum Glucose-6-phosphate dehydrogenase. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504690, AID504696] ChEMBL. No reference
IC50 (functional) > 80 uM PUBCHEM_BIOASSAY: Dose Response orthogonal kinetic assay utilizing the direct detection of NADPH for uHTS small molecule inhibitors of Plasmodium falciparum Glucose-6-phosphate dehydrogenase. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504690, AID504696] ChEMBL. No reference
IC50 (functional) 155.042 uM PubChem BioAssay. Absorbance-based biochemical high throughput dose response assay to identify inhibitors of Methionine sulfoxide reductase A (MsrA). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.631 uM PubChem BioAssay. qHTS Assay to Identify Small Molecule Activators of BRCA1 Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.6513 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.5849 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.8184 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 2.8184 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) 3.1623 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.5481 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 3.6626 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.9811 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
Potency (functional) 3.9811 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 3.9811 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 4.6109 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 8.9125 uM PubChem BioAssay. qHTS of alpha-syn Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) 17.7828 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.3564 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 23.7781 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens 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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