Detailed information for compound 1339002

Basic information

Technical information
  • TDR Targets ID: 1339002
  • Name: N-[(3-cyano-5,6-dihydro-4H-cyclopenta[d]thiop hen-2-yl)carbamothioyl]benzamide
  • MW: 327.424 | Formula: C16H13N3OS2
  • H donors: 2 H acceptors: 2 LogP: 3.94 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1c(NC(=S)NC(=O)c2ccccc2)sc2c1CCC2
  • InChi: 1S/C16H13N3OS2/c17-9-12-11-7-4-8-13(11)22-15(12)19-16(21)18-14(20)10-5-2-1-3-6-10/h1-3,5-6H,4,7-8H2,(H2,18,19,20,21)
  • InChiKey: OMXAWDLXQJAZRU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[[(3-cyano-5,6-dihydro-4H-cyclopenta[d]thiophen-2-yl)amino]-thioxomethyl]benzamide
  • N-[(3-cyano-5,6-dihydro-4H-cyclopenta[d]thiophen-2-yl)thiocarbamoyl]benzamide
  • AJ-292/40175636
  • BAS 00391460
  • STK067898
  • Oprea1_392106
  • ZINC00173703
  • 1-Benzoyl-3-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-thiourea
  • MLS000561252
  • SMR000174761

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens polo-like kinase 1 Starlite/ChEMBL No references
Homo sapiens RAB9A, member RAS oncogene family Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Schistosoma mansoni Thioredoxin glutathione reductase Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL 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
Onchocerca volvulus Serine\/threonine kinase homolog Get druggable targets OG5_127396 All targets in OG5_127396
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum MGC84926 protein, related Get druggable targets OG5_126785 All targets in OG5_126785
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Entamoeba histolytica serine/threonine protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
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 aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Plasmodium vivax thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma brucei polo-like protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma brucei gambiense polo-like protein kinase,protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Cryptosporidium hominis thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium falciparum thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
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
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium berghei glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Giardia lamblia Kinase, PLK Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) PLK/PLK1 protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor 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
Echinococcus granulosus serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania infantum trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi serine/threonine-protein kinase plk-2 Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum Glutathione reductase, related Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum ko:K06631 polo-like kinase 1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Plasmodium berghei thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania major protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Brugia malayi glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans 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
Schistosoma japonicum Serine/threonine-protein kinase PLK1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Plasmodium yoelii glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania mexicana trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Theileria parva thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Cryptosporidium parvum thioredoxin reductase 1 Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Leishmania donovani trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi Thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium yoelii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma brucei gambiense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium vivax glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania mexicana protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma congolense protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma brucei trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium knowlesi glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania braziliensis protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Plasmodium knowlesi thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania braziliensis trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma congolense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
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
Trypanosoma cruzi trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Toxoplasma gondii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Babesia bovis thiodoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania major trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania infantum protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin glutathione reductase   598 aa 512 aa 28.3 %
Plasmodium falciparum ras-related protein Rab-5B RAB9A, member RAS oncogene family 201 aa 165 aa 30.9 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin glutathione reductase   598 aa 513 aa 25.0 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin glutathione reductase   598 aa 555 aa 33.5 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 521 aa 21.5 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 538 aa 25.3 %
Neospora caninum glutathione reductase, putative Thioredoxin glutathione reductase   598 aa 532 aa 34.6 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 518 aa 22.0 %
Neospora caninum hypothetical protein Thioredoxin glutathione reductase   598 aa 485 aa 30.5 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin glutathione reductase   598 aa 537 aa 24.2 %
Onchocerca volvulus Thioredoxin glutathione reductase   598 aa 533 aa 50.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Plasmodium vivax glutathione reductase, putative 0.0046 0.0177 0.0177
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0294 0.0294
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0468 0.1196
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0217 0.0523
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0239 0.0239
Trypanosoma brucei trypanothione reductase 0.0046 0.0177 0.0177
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0468 0.1196
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0294 0.0294
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.2352 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0468 0.1196
Schistosoma mansoni dihydroorotate dehydrogenase 0.2352 1 1
Leishmania major trypanothione reductase 0.0046 0.0177 0.0177
Brugia malayi serine/threonine-protein kinase plk-2 0.0114 0.0468 0.0468
Toxoplasma gondii dihydroorotate dehydrogenase reveal, putative 0.2352 1 1
Trypanosoma cruzi trypanothione reductase, putative 0.0046 0.0177 0.0177
Trichomonas vaginalis set domain proteins, putative 0.0286 0.1201 0.3069
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0136 0.0136
Trichomonas vaginalis glutathione reductase, putative 0.0016 0.005 0.0127
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0016 0.005 0.005
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0.005 0.005
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0016 0.005 0.005
Echinococcus multilocularis GPCR, family 2 0.0019 0.0063 0.0152
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0016 0.005 0.005
Brugia malayi Thioredoxin reductase 0.0046 0.0177 0.0177
Schistosoma mansoni kinase 0.0058 0.0229 0.0229
Onchocerca volvulus 0.0036 0.0136 0.113
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0016 0.005 0.005
Plasmodium falciparum glutathione reductase 0.0046 0.0177 0.0177
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0294 0.0294
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.005 0.005
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0217 0.0217
Loa Loa (eye worm) hypothetical protein 0.0041 0.0157 0.1495
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0016 0.005 0.005
Loa Loa (eye worm) glutathione reductase 0.0046 0.0177 0.1678
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0116 0.0475 0.0475
Echinococcus granulosus GPCR family 2 0.0019 0.0063 0.0162
Onchocerca volvulus Serine\/threonine kinase homolog 0.0114 0.0468 0.3898
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0136 0.0136
Trichomonas vaginalis CAMK family protein kinase 0.0056 0.0223 0.0569
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0468 0.1196
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0016 0.005 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0104 0.0426 0.0426
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0016 0.005 0.005
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0217 0.2065
Toxoplasma gondii thioredoxin reductase 0.0046 0.0177 0.0177
Plasmodium vivax dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.2352 1 1
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0923 0.3912 0.9419
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.0468 0.0468
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0.005 0.005
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0114 0.0468 0.4446
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.0179 0.0432
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0016 0.005 0.005
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0104 0.0426 0.0426
Leishmania major dihydroorotate dehydrogenase 0.2352 1 1
Toxoplasma gondii NADPH-glutathione reductase 0.0016 0.005 0.005
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.0177 0.0177
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0979 0.4153 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0063 0.0162
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0294 0.0753
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0016 0.005 0.005
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0468 0.1196
Schistosoma mansoni hypothetical protein 0.0019 0.0063 0.0063
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.0179 0.0458
Trichomonas vaginalis CAMK family protein kinase 0.0056 0.0223 0.0569
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0923 0.3912 1
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0016 0.005 0.005
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.0918 0.3894 0.3894
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0918 0.3894 0.9954
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.005 0.005
Giardia lamblia Kinase, PLK 0.0114 0.0468 1
Brugia malayi Pre-SET motif family protein 0.0036 0.0136 0.0136
Trypanosoma brucei polo-like protein kinase 0.0114 0.0468 0.0468
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.005 0.005
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0063 0.0162
Plasmodium falciparum dihydroorotate dehydrogenase 0.2352 1 1
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0016 0.005 0.005
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0217 0.0556
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0136 0.0327
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0923 0.3912 0.9419
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0167 0.0402
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0012 0.0032 0.0032
Mycobacterium leprae Probable dihydroorotate dehydrogenase PyrD 0.2352 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0239 0.2266
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0104 0.0426 0.0426
Schistosoma mansoni serine/threonine protein kinase 0.0114 0.0468 0.0468
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0294 0.0294
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0016 0.005 0.005
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.0177 0.1678
Brugia malayi Zinc finger, C2H2 type family protein 0.0918 0.3894 0.3894
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0012 0.0032 0.0032
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0217 0.0217
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.0294 0.0294
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0016 0.005 0.005
Mycobacterium tuberculosis Probable oxidoreductase 0.0116 0.0475 0.0475
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0157 0.0157
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0016 0.005 0.005
Plasmodium falciparum glutathione reductase 0.0016 0.005 0.005
Schistosoma mansoni hypothetical protein 0.0041 0.0157 0.0157
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0167 0.0427
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0294 0.0294
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0294 0.0294
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0104 0.0426 0.0426
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0063 0.0601
Schistosoma mansoni hypothetical protein 0.0019 0.0063 0.0063
Schistosoma mansoni hypothetical protein 0.0019 0.0063 0.0063
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.0923 0.3912 1
Entamoeba histolytica hypothetical protein 0.0043 0.0167 0.0427
Loa Loa (eye worm) hypothetical protein 0.0036 0.0136 0.1289
Entamoeba histolytica serine/threonine protein kinase, putative 0.0114 0.0468 0.1196
Trichomonas vaginalis mercuric reductase, putative 0.0016 0.005 0.0127
Brugia malayi Pre-SET motif family protein 0.0251 0.1053 0.1053
Plasmodium falciparum thioredoxin reductase 0.0016 0.005 0.005
Schistosoma mansoni hypothetical protein 0.0019 0.0063 0.0063
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0063 0.0063
Entamoeba histolytica hypothetical protein 0.0043 0.0167 0.0427
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0114 0.0468 0.1196
Entamoeba histolytica hypothetical protein 0.0043 0.0167 0.0427
Loa Loa (eye worm) hypothetical protein 0.0019 0.0063 0.0601
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0136 0.0327
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0923 0.3912 1
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0114 0.0468 0.1127
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0136 0.0136
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0136 0.0136
Trypanosoma brucei dihydroorotate dehydrogenase (fumarate) 0.2352 1 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0239 0.2266
Brugia malayi hypothetical protein 0.0043 0.0167 0.0167
Treponema pallidum NADH oxidase 0.0016 0.005 1
Brugia malayi Dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.2352 1 1
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0918 0.3894 0.9954
Trichomonas vaginalis dihydropyrimidine dehydrogenase, putative 0.0918 0.3894 0.9954
Giardia lamblia NADH oxidase lateral transfer candidate 0.0016 0.005 0.1058
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0918 0.3894 0.9954
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0063 0.0152
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0217 0.0217
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0239 0.0239
Mycobacterium tuberculosis Probable dihydroorotate dehydrogenase PyrD 0.2352 1 1
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0114 0.0468 0.0468
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.0468 0.0468
Wolbachia endosymbiont of Brugia malayi dihydroorotate dehydrogenase 2 0.2352 1 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0016 0.005 0.005
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.005 0.005
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0167 0.0167
Brugia malayi glutathione reductase 0.0046 0.0177 0.0177
Plasmodium falciparum thioredoxin reductase 0.0046 0.0177 0.0177
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.1053 1
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0016 0.005 0.0127
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0016 0.005 0.005
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0217 0.0217
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0116 0.0475 0.0475
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0468 0.1196
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.2352 1 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.005 0.005
Plasmodium vivax SET domain protein, putative 0.0036 0.0136 0.0136
Mycobacterium ulcerans dihydroorotate dehydrogenase 2 0.2352 1 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0116 0.0475 0.0475
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0923 0.3912 1
Schistosoma mansoni hypothetical protein 0.0043 0.0167 0.0167
Onchocerca volvulus 0.0286 0.1201 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0136 0.0347
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.013 0.0332
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0016 0.005 0.0119
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0063 0.0152
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0136 0.0136
Mycobacterium tuberculosis Probable reductase 0.0104 0.0426 0.0426
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0217 0.0556
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0217 0.0523
Mycobacterium tuberculosis Probable dehydrogenase 0.0104 0.0426 0.0426
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0016 0.005 0.005
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.005 0.005
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0016 0.005 0.005
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0016 0.005 0.005
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0923 0.3912 1
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0468 0.1196
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0016 0.005 0.005
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0294 0.0709
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0016 0.005 0.005
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0016 0.005 0.005
Trypanosoma cruzi dihydroorotate dehydrogenase (fumarate), putative 0.2352 1 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0063 0.0063
Trypanosoma cruzi trypanothione reductase, putative 0.0016 0.005 0.005
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0294 0.0294
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0104 0.0426 0.0426
Entamoeba histolytica hypothetical protein 0.0043 0.0167 0.0427
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0046 0.0177 0.0177

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.8184 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) = 3.5481 um PUBCHEM_BIOASSAY: qHTS Assay for Rab9 Promoter Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.9811 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) 5.0119 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) 5.8048 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) 10.6213 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) 12.5893 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS 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 (functional) 14.581 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) 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: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.1093 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that induce genotoxicity in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493106, AID493143] ChEMBL. No reference
Potency (functional) 28.1838 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (binding) = 31.6228 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) = 31.6228 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) 39.8107 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) 44.6684 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) = 56.2341 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ] ChEMBL. No reference
Potency (functional) = 56.2341 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ] ChEMBL. No reference
Potency (functional) 56.2341 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) 70.7946 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504856] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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