Detailed information for compound 1215962

Basic information

Technical information
  • TDR Targets ID: 1215962
  • Name: 3-chloro-6-methoxy-1-benzothiophene-2-carbohy drazide
  • MW: 256.709 | Formula: C10H9ClN2O2S
  • H donors: 2 H acceptors: 1 LogP: 2.4 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: NNC(=O)c1sc2c(c1Cl)ccc(c2)OC
  • InChi: 1S/C10H9ClN2O2S/c1-15-5-2-3-6-7(4-5)16-9(8(6)11)10(14)13-12/h2-4H,12H2,1H3,(H,13,14)
  • InChiKey: SXPAHRIQWOIDAN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-chloro-6-methoxy-benzothiophene-2-carbohydrazide
  • 3-chloro-6-methoxy-2-benzothiophenecarbohydrazide
  • A1201/0055330
  • 3-Chloro-6-methoxy-benzo[b]thiophene-2-carboxylic acid hydrazide
  • MLS000595238
  • SMR000149761
  • ZINC00535228
  • Oprea1_312129
  • Oprea1_042088

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens glucosidase, alpha Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Lysosomal alpha-glucosidase precursor, putative Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Onchocerca volvulus Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum ko:K01187 alpha-glucosidase [EC3.2.1.20], putative Get druggable targets OG5_127055 All targets in OG5_127055
Brugia malayi Glycosyl hydrolases family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) glycosyl hydrolase family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.057 0.3089
Plasmodium falciparum thioredoxin reductase 0.0053 0.0325 1
Plasmodium falciparum glutathione reductase 0.0053 0.0325 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.006 0.041 0.4499
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0204 0.2241
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.0083 0.0916
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.057 0.2982
Echinococcus multilocularis serotonin receptor 0.0131 0.1286 0.1253
Loa Loa (eye worm) hypothetical protein 0.0157 0.1599 0.4186
Schistosoma mansoni tar DNA-binding protein 0.0333 0.3776 0.3775
Loa Loa (eye worm) intermediate filament protein 0.003 0.0038 0.0018
Trichomonas vaginalis PIKK family atypical protein kinase 0.006 0.041 0.4499
Trichomonas vaginalis PIKK family atypical protein kinase 0.0055 0.0338 0.3713
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0204 0.0358
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0838 1 1
Schistosoma mansoni tar DNA-binding protein 0.0333 0.3776 0.3775
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.0204 0.2241
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0157 0.1599 0.4175
Brugia malayi AMP-binding enzyme family protein 0.0048 0.0256 0.0583
Brugia malayi Glycosyl hydrolases family 31 protein 0.0197 0.2092 0.5495
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.005 0.0277 0.0241
Brugia malayi Thioredoxin reductase 0.0053 0.0325 0.0768
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.057 0.2982
Loa Loa (eye worm) phosphatidylinositol 3 0.0034 0.0083 0.0141
Trichomonas vaginalis PIKK family atypical protein kinase 0.006 0.0403 0.4418
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0036 0.0107 0.5
Schistosoma mansoni hypothetical protein 0.005 0.0277 0.0242
Trichomonas vaginalis PIKK family atypical protein kinase 0.0066 0.0474 0.5205
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0048 0.0256 0.1097
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0044 0.0204 0.0463
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.003 0.0038 0.0018
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.057 0.0538
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0101 0.0911 0.2337
Loa Loa (eye worm) MH2 domain-containing protein 0.0119 0.1139 0.2958
Schistosoma mansoni cellular tumor antigen P53 0.0107 0.0988 0.096
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0043 0.0198 0.0341
Loa Loa (eye worm) thioredoxin reductase 0.0053 0.0325 0.0784
Loa Loa (eye worm) glutathione reductase 0.0053 0.0325 0.0784
Trypanosoma brucei trypanothione reductase 0.0053 0.0325 0.0715
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0197 0.2092 0.5503
Trichomonas vaginalis sucrase-isomaltase, putative 0.0044 0.0204 0.2241
Brugia malayi AMP-binding enzyme family protein 0.0048 0.0256 0.0583
Toxoplasma gondii target of rapamycin (TOR), putative 0.0075 0.0592 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.008 0.0656 0.7204
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0101 0.0911 0.2456
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.0083 0.0916
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0048 0.0256 0.0959
Mycobacterium ulcerans hypothetical protein 0.0162 0.1661 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0068 0.0501 0.5501
Loa Loa (eye worm) hypothetical protein 0.0048 0.0256 0.0601
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0048 0.0256 0.0959
Schistosoma mansoni tar DNA-binding protein 0.0333 0.3776 0.3775
Leishmania major 4-coumarate:coa ligase-like protein 0.0048 0.0256 0.0511
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0048 0.0255 0.0508
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0145 0.1458 0.408
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0204 0.2241
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0048 0.0256 0.0959
Echinococcus granulosus microtubule associated protein 2 0.0833 0.9941 0.9941
Plasmodium vivax thioredoxin reductase, putative 0.0053 0.0325 1
Loa Loa (eye worm) hypothetical protein 0.0107 0.0987 0.2553
Mycobacterium ulcerans acyl-CoA synthetase 0.0048 0.0256 0.0959
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.005 0.0277 0.0241
Entamoeba histolytica acyl-CoA synthetase, putative 0.0048 0.0256 0.0762
Loa Loa (eye worm) hypothetical protein 0.0107 0.0988 0.2556
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0122 0.1168 0.688
Trichomonas vaginalis PIKK family atypical protein kinase 0.008 0.0656 0.7204
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.057 0.0535
Loa Loa (eye worm) hypothetical protein 0.0036 0.0107 0.0202
Trichomonas vaginalis PIKK family atypical protein kinase 0.0101 0.0911 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0202 0.0165
Loa Loa (eye worm) hypothetical protein 0.0036 0.0107 0.0202
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.057 0.9431
Schistosoma mansoni alpha-glucosidase 0.0169 0.1754 0.1733
Brugia malayi TAR-binding protein 0.0333 0.3776 1
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0145 0.1458 0.408
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0204 0.0358
Loa Loa (eye worm) hypothetical protein 0.0048 0.0256 0.0601
Trichomonas vaginalis PIKK family atypical protein kinase 0.0054 0.0337 0.3702
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0157 0.1599 0.4186
Echinococcus granulosus tumor protein p63 0.0733 0.8701 0.8696
Schistosoma mansoni tar DNA-binding protein 0.0333 0.3776 0.3775
Toxoplasma gondii thioredoxin reductase 0.0053 0.0325 0.3102
Echinococcus multilocularis GPCR, family 2 0.005 0.0277 0.0241
Trichomonas vaginalis PIKK family atypical protein kinase 0.0055 0.0338 0.3713
Plasmodium vivax glutathione reductase, putative 0.0053 0.0325 1
Echinococcus granulosus lysosomal alpha glucosidase 0.0197 0.2092 0.2062
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0101 0.0911 1
Brugia malayi MH2 domain containing protein 0.0119 0.1139 0.2945
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0101 0.0911 0.2456
Trichomonas vaginalis PIKK family atypical protein kinase 0.0054 0.0337 0.3702
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0122 0.1168 0.688
Mycobacterium ulcerans hypothetical protein 0.0048 0.0256 0.0959
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.057 0.0538
Trichomonas vaginalis PIKK family atypical protein kinase 0.008 0.0656 0.7204
Trichomonas vaginalis PIKK family atypical protein kinase 0.0075 0.0592 0.6498
Schistosoma mansoni alpha-glucosidase 0.0169 0.1754 0.1733
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0204 0.2241
Schistosoma mansoni alpha glucosidase 0.0044 0.0204 0.0168
Loa Loa (eye worm) latrophilin receptor protein 2 0.005 0.0277 0.0659
Entamoeba histolytica acyl-coA synthetase, putative 0.0048 0.0256 0.0762
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0333 0.3776 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.2092 0.2062
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0101 0.0911 0.2456
Trypanosoma brucei glucosidase, putative 0.0044 0.0204 0.0358
Leishmania major 4-coumarate:coa ligase-like protein 0.0048 0.0256 0.0511
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.057 0.2982
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.0204 0.0037
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0307 0.3453 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0307 0.3453 1
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0034 0.0083 0.0046
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.005 0.0277 0.0241
Echinococcus granulosus neutral alpha glucosidase AB 0.0044 0.0204 0.0167
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0122 0.1168 0.8448
Loa Loa (eye worm) hypothetical protein 0.0131 0.1286 0.335
Loa Loa (eye worm) hypothetical protein 0.0036 0.0107 0.0202
Leishmania major alpha glucosidase II subunit, putative 0.0044 0.0204 0.0358
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0053 0.0315 0.0687
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.0083 0.0916
Loa Loa (eye worm) phosphatidylinositol 3 0.0101 0.0911 0.2351
Echinococcus multilocularis tumor protein p63 0.0733 0.8701 0.8696
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0101 0.0911 0.2456
Trichomonas vaginalis maltase-glucoamylase, putative 0.0044 0.0204 0.2241
Loa Loa (eye worm) RNA binding protein 0.0333 0.3776 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.005 0.0277 0.0642
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0034 0.0083 0.0123
Mycobacterium tuberculosis Conserved hypothetical protein 0.0162 0.1661 1
Trypanosoma cruzi target of rapamycin kinase 3 0.008 0.0657 0.1703
Giardia lamblia GTOR 0.0101 0.0911 0.5
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0145 0.1458 0.408
Trichomonas vaginalis PIKK family atypical protein kinase 0.0054 0.0337 0.3702
Echinococcus granulosus thioredoxin glutathione reductase 0.0053 0.0325 0.0288
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0048 0.0256 0.1097
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0122 0.1168 0.688
Mycobacterium tuberculosis Probable reductase 0.0122 0.1168 0.688
Brugia malayi Glycosyl hydrolases family 31 protein 0.0044 0.0204 0.0446
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0101 0.0911 0.0877
Trichomonas vaginalis PIKK family atypical protein kinase 0.0075 0.0592 0.6498
Toxoplasma gondii hypothetical protein 0.005 0.0277 0.1869
Trichomonas vaginalis PIKK family atypical protein kinase 0.0075 0.0592 0.6498
Loa Loa (eye worm) hypothetical protein 0.0036 0.0107 0.0202
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0101 0.0911 0.0882
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.005 0.0277 0.0241
Leishmania major trypanothione reductase 0.0053 0.0325 0.0715
Trichomonas vaginalis PIKK family atypical protein kinase 0.0075 0.0592 0.6498
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0042 0.0183 0.0296
Trichomonas vaginalis PIKK family atypical protein kinase 0.0055 0.0338 0.3713
Brugia malayi AMP-binding enzyme family protein 0.0048 0.0256 0.0583
Mycobacterium ulcerans acyl-CoA synthetase 0.0048 0.0256 0.0959
Trichomonas vaginalis PIKK family atypical protein kinase 0.0086 0.0729 0.8002
Onchocerca volvulus 0.0114 0.1069 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.057 0.1444
Onchocerca volvulus 0.0048 0.0256 0.2115
Echinococcus multilocularis serotonin receptor 0.0131 0.1286 0.1253
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0204 0.2241
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.2092 0.2062
Schistosoma mansoni hypothetical protein 0.005 0.0277 0.0242
Schistosoma mansoni hypothetical protein 0.005 0.0277 0.0242
Trichomonas vaginalis PIKK family atypical protein kinase 0.0055 0.0338 0.3713
Echinococcus granulosus biogenic amine 5HT receptor 0.0386 0.4427 0.4406
Trichomonas vaginalis PIKK family atypical protein kinase 0.008 0.0656 0.7204
Echinococcus multilocularis neutral alpha glucosidase AB 0.0044 0.0204 0.0167
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0053 0.0325 0.1534
Leishmania major 4-coumarate:coa ligase-like protein 0.0048 0.0256 0.0511
Schistosoma mansoni hypothetical protein 0.0107 0.0987 0.0959
Mycobacterium tuberculosis Probable oxidoreductase 0.0135 0.1336 0.7943
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0034 0.0083 0.0046
Trichomonas vaginalis PIKK family atypical protein kinase 0.0075 0.0592 0.6498
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0135 0.1336 0.7943
Onchocerca volvulus 0.0107 0.0988 0.9217
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0034 0.0083 0.0046
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0101 0.0911 0.2456
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0101 0.0911 0.0877
Trichomonas vaginalis PIKK family atypical protein kinase 0.0075 0.0592 0.6498
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.008 0.0657 0.1703
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.9941 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0135 0.1336 1
Echinococcus multilocularis tar DNA binding protein 0.0333 0.3776 0.3753
Loa Loa (eye worm) hypothetical protein 0.0036 0.0107 0.0202
Echinococcus granulosus GPCR family 2 0.005 0.0277 0.0241
Brugia malayi glutathione reductase 0.0053 0.0325 0.0768
Brugia malayi RNA recognition motif domain containing protein 0.0333 0.3776 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.0204 0.0037
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.057 0.0535
Trichomonas vaginalis PIKK family atypical protein kinase 0.0101 0.0911 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.006 0.041 0.4499
Loa Loa (eye worm) TAR-binding protein 0.0333 0.3776 1
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0386 0.4427 0.4406
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0101 0.0911 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.0204 0.2241
Brugia malayi hypothetical protein 0.0043 0.0202 0.0439
Trichomonas vaginalis PIKK family atypical protein kinase 0.0101 0.0911 1
Loa Loa (eye worm) transcription factor SMAD2 0.0119 0.1139 0.2958
Brugia malayi Calcitonin receptor-like protein seb-1 0.0157 0.1599 0.4175
Leishmania major mitochondrial DNA polymerase beta 0.0307 0.3453 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0038 0.0018
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0307 0.3453 1
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0048 0.0256 0.0959
Schistosoma mansoni hypothetical protein 0.0043 0.0202 0.0166
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0135 0.1336 0.7943
Trichomonas vaginalis PIKK family atypical protein kinase 0.006 0.0403 0.4418
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0043 0.0198 0.0341
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.0083 0.0916
Echinococcus granulosus biogenic amine 5HT receptor 0.0131 0.1286 0.1253
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0036 0.0107 0.0153
Schistosoma mansoni hypothetical protein 0.005 0.0277 0.0242
Echinococcus multilocularis thioredoxin glutathione reductase 0.0053 0.0325 0.0288
Trichomonas vaginalis PIKK family atypical protein kinase 0.0075 0.0592 0.6498
Entamoeba histolytica acyl-CoA synthetase, putative 0.0048 0.0256 0.0762
Brugia malayi RNA binding protein 0.0333 0.3776 1
Trypanosoma cruzi trypanothione reductase, putative 0.0053 0.0325 0.0715
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0202 0.0165
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0204 0.2241
Brugia malayi latrophilin 2 splice variant baaae 0.0107 0.0987 0.254
Loa Loa (eye worm) hypothetical protein 0.005 0.0277 0.0659
Schistosoma mansoni biogenic amine (5HT) receptor 0.0131 0.1286 0.126
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0101 0.0911 0.2456
Trypanosoma brucei target of rapamycin kinase 3, putative 0.008 0.0657 0.1703
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0202 0.0166
Schistosoma mansoni tar DNA-binding protein 0.0333 0.3776 0.3775
Mycobacterium ulcerans acyl-CoA synthetase 0.0048 0.0256 0.0959
Schistosoma mansoni biogenic amine (5HT) receptor 0.0386 0.4427 0.4432
Echinococcus granulosus tar DNA binding protein 0.0333 0.3776 0.3753
Mycobacterium tuberculosis Probable dehydrogenase 0.0122 0.1168 0.688
Loa Loa (eye worm) hypothetical protein 0.0048 0.0256 0.0601
Brugia malayi Latrophilin receptor protein 2 0.005 0.0277 0.0642
Loa Loa (eye worm) hypothetical protein 0.0131 0.1286 0.335
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0043 0.0198 0.0341
Trichomonas vaginalis PIKK family atypical protein kinase 0.008 0.0656 0.7204
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0043 0.0198 0.0341
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.9941 0.9941
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0122 0.1168 0.688
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.0083 0.0916

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 1.122 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (binding) = 11.2202 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.581 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) = 15.7279 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase Cleavage of Glycogen. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ] ChEMBL. No reference
Potency (functional) 16.3535 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) 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) 18.526 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) 20.5962 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) = 22.3872 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 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) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 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) 37.933 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS assay for re-activators of p53 using a Luc reporter. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504709] ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 89.1251 uM PubChem BioAssay. qHTS for Inhibitors of WRN Helicase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
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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