Detailed information for compound 1255840

Basic information

Technical information
  • TDR Targets ID: 1255840
  • Name: 9-chloro-6-(trifluoromethyl)-3a,4,5,9b-tetrah ydro-3H-cyclopenta[c]quinoline-4-carboxylic a cid
  • MW: 317.691 | Formula: C14H11ClF3NO2
  • H donors: 2 H acceptors: 2 LogP: 3.99 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)C1Nc2c(C3C1CC=C3)c(Cl)ccc2C(F)(F)F
  • InChi: 1S/C14H11ClF3NO2/c15-9-5-4-8(14(16,17)18)12-10(9)6-2-1-3-7(6)11(19-12)13(20)21/h1-2,4-7,11,19H,3H2,(H,20,21)
  • InChiKey: ANQJNJFYWVQYNR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • MLS-0111624
  • MLS-0111624.0001
  • STOCK3S-56138

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Schistosoma mansoni Thioredoxin glutathione reductase Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Trypanosoma brucei trypanothione 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
Plasmodium falciparum glutathione reductase 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
Trypanosoma cruzi trypanothione reductase, putative 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
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Plasmodium vivax thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania infantum trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium berghei thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium vivax glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania braziliensis trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium yoelii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium hominis thioredoxin 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 similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Leishmania donovani trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium parvum thioredoxin reductase 1 Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania major trypanothione 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
Plasmodium falciparum thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei gambiense trypanothione reductase, putative 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
Brugia malayi glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Neospora caninum MGC84926 protein, related Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis thioredoxin glutathione 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
Loa Loa (eye worm) thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium knowlesi thioredoxin 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
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Plasmodium yoelii glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Neospora caninum Glutathione reductase, related Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium berghei glutathione reductase, putative 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
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 518 aa 22.0 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin glutathione reductase   598 aa 555 aa 33.5 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin glutathione reductase   598 aa 512 aa 28.3 %
Neospora caninum hypothetical protein Thioredoxin glutathione reductase   598 aa 485 aa 30.5 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin glutathione reductase   598 aa 513 aa 25.0 %
Neospora caninum glutathione reductase, putative Thioredoxin glutathione reductase   598 aa 532 aa 34.6 %
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 %
Onchocerca volvulus Thioredoxin glutathione reductase   598 aa 533 aa 50.8 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin glutathione reductase   598 aa 537 aa 24.2 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 521 aa 21.5 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 538 aa 25.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0016 0.0206 0.0256
Trypanosoma cruzi trypanothione reductase, putative 0.0016 0.0206 0.0256
Brugia malayi Protein kinase domain containing protein 0.0015 0.019 0.0217
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0017 0.0245 0.0336
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0016 0.0206 0.0256
Loa Loa (eye worm) hypothetical protein 0.0164 0.5574 0.6379
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0.0206 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.4855 0.5557
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0017 0.0245 0.0082
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0016 0.0206 0.0256
Echinococcus granulosus death domain containing protein 0.0015 0.019 0.0231
Onchocerca volvulus 0.0036 0.0943 0.0943
Leishmania major protein kinase, putative 0.0013 0.0092 0.0025
Echinococcus multilocularis netrin receptor unc 5 0.0015 0.019 0.0231
Onchocerca volvulus Eukaryotic initiation factor 4A homolog 0.0148 0.499 0.499
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0938 0.1531
Schistosoma mansoni single-minded 0.0049 0.1403 0.1992
Plasmodium vivax SET domain protein, putative 0.0036 0.0938 0.1531
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0017 0.0245 0.0348
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0012 0.0053 0.0061
Loa Loa (eye worm) hypoxia-induced factor 1 0.0151 0.5114 0.5853
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0016 0.0206 0.0256
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0017 0.0245 0.0299
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0116 0.3828 0.7572
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0013 0.0092 0.0025
Plasmodium vivax RNA helicase-1, putative 0.0148 0.499 1
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0017 0.0245 0.0082
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0016 0.0206 0.0256
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0245 0.0299
Loa Loa (eye worm) hypothetical protein 0.0148 0.499 0.5711
Treponema pallidum ATP-dependent RNA helicase 0.0148 0.499 1
Loa Loa (eye worm) isocitrate dehydrogenase 0.0017 0.0245 0.028
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0245 0.0299
Brugia malayi hypoxia-induced factor 1 0.0151 0.5114 0.5853
Loa Loa (eye worm) hypothetical protein 0.0036 0.0938 0.1074
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0938 0.1331
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0013 0.0092 0.0025
Brugia malayi Thioredoxin reductase 0.0046 0.1287 0.1473
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0206 0.0256
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0017 0.0245 0.0336
Brugia malayi Cytochrome P450 family protein 0.0012 0.008 0.0091
Schistosoma mansoni hypothetical protein 0.0039 0.1028 0.1459
Plasmodium vivax glutathione reductase, putative 0.0046 0.1287 0.226
Echinococcus granulosus netrin receptor unc 5 0.0015 0.019 0.0231
Brugia malayi Cytochrome P450 family protein 0.0012 0.008 0.0091
Loa Loa (eye worm) CYP4Cod1 0.0012 0.008 0.0091
Mycobacterium ulcerans putative regulatory protein 0.0036 0.0943 1
Giardia lamblia Translation initiation factor eIF-4A, putative 0.0148 0.499 1
Onchocerca volvulus 0.0013 0.0092 0.0092
Echinococcus granulosus ankyrin repeat and death domain containing protein 0.0015 0.019 0.0231
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0016 0.0206 0.0256
Echinococcus granulosus Ankyrin 0.0016 0.0194 0.0237
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0039 0.1028 0.1253
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0017 0.0245 0.0336
Schistosoma mansoni retinoblastoma-binding protein 4 (rbbp4) 0.0016 0.0194 0.0276
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0938 0.1331
Brugia malayi glutathione reductase 0.0046 0.1287 0.1473
Brugia malayi Immunoglobulin I-set domain containing protein 0.0015 0.019 0.0217
Brugia malayi hypothetical protein 0.0039 0.1028 0.1176
Echinococcus multilocularis aryl hydrocarbon receptor 0.0013 0.0092 0.0113
Echinococcus multilocularis eukaryotic initiation factor 4A 0.0148 0.499 0.6084
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0206 0.0256
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0104 0.3407 0.8872
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0016 0.0206 0.1456
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0013 0.0092 0.0025
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0148 0.499 0.7082
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0017 0.0245 0.0082
Echinococcus multilocularis geminin 0.0205 0.7045 0.859
Toxoplasma gondii isocitrate dehydrogenase 0.0017 0.0245 0.0082
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0245 0.0299
Leishmania major eukaryotic initiation factor 4a, putative 0.0148 0.499 1
Trichomonas vaginalis mercuric reductase, putative 0.0016 0.0206 0.0114
Schistosoma mansoni aryl hydrocarbon receptor 0.0049 0.1403 0.1992
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0012 0.0053 0.0061
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0017 0.0245 0.0336
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0016 0.0206 0.0251
Echinococcus multilocularis transfer RNA-Lys 0.0036 0.0943 0.115
Echinococcus granulosus eukaryotic initiation factor 4A 0.0148 0.499 0.6084
Echinococcus multilocularis ankyrin repeat and death domain containing protein 0.0015 0.019 0.0231
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0104 0.3407 0.6692
Brugia malayi PAS domain containing protein 0.0049 0.1403 0.1606
Schistosoma mansoni transcription factor LCR-F1 0.0039 0.1028 0.1459
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.4855 0.5557
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0039 0.1028 0.1253
Trichomonas vaginalis glutathione reductase, putative 0.0016 0.0206 0.0114
Brugia malayi Death domain containing protein 0.0015 0.019 0.0217
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.089 0.1085
Leishmania major protein kinase, putative 0.0013 0.0092 0.0025
Toxoplasma gondii isocitrate dehydrogenase 0.0017 0.0245 0.0082
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0938 0.1331
Loa Loa (eye worm) glutathione reductase 0.0046 0.1287 0.1473
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0148 0.499 0.4946
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0015 0.019 0.0217
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0104 0.3407 0.6692
Loa Loa (eye worm) aryl Hydrocarbon receptor Associated protein family member 0.0013 0.0092 0.0106
Leishmania major trypanothione reductase 0.0046 0.1287 0.2459
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0104 0.3407 0.6692
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0148 0.499 0.4946
Trichomonas vaginalis set domain proteins, putative 0.0286 0.9995 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.019 0.0217
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.1287 0.226
Brugia malayi eukaryotic initiation factor 4A 0.0148 0.499 0.5711
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0016 0.0206 0.0292
Echinococcus granulosus eukaryotic initiation factor 4A III 0.0148 0.499 0.6084
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0116 0.3828 0.7572
Plasmodium falciparum glutathione reductase 0.0046 0.1287 0.226
Brugia malayi MH2 domain containing protein 0.0144 0.4855 0.5557
Schistosoma mansoni hypothetical protein 0.0205 0.7045 1
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0016 0.0206 0.0256
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0016 0.0206 0.0251
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0016 0.0206 0.0235
Loa Loa (eye worm) cytochrome P450 family protein 0.0012 0.008 0.0091
Onchocerca volvulus Netrin receptor homolog 0.0015 0.019 0.019
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.1309 0.1596
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0206 0.0256
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.1309 0.1596
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.1287 0.1473
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0046 0.1287 0.226
Schistosoma mansoni netrin receptor unc5 0.0015 0.019 0.0269
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0016 0.0206 0.1456
Trypanosoma cruzi trypanothione reductase, putative 0.0046 0.1287 0.2459
Onchocerca volvulus 0.0036 0.0938 0.0938
Echinococcus multilocularis Ankyrin 0.0016 0.0194 0.0237
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0016 0.0206 0.1456
Brugia malayi Isocitrate dehydrogenase 0.0017 0.0245 0.028
Toxoplasma gondii eukaryotic initiation factor-4A, putative 0.0148 0.499 1
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0016 0.0206 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0938 0.1144
Loa Loa (eye worm) hypothetical protein 0.0013 0.0092 0.0106
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0206 0.0256
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0148 0.499 0.7082
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0116 0.3828 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0938 0.1144
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0017 0.0245 0.0299
Brugia malayi Pre-SET motif family protein 0.0036 0.0938 0.1074
Trypanosoma brucei Eukaryotic initiation factor 4A-1 0.0148 0.499 1
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0237 0.8202 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0104 0.3407 0.6692
Plasmodium falciparum thioredoxin reductase 0.0046 0.1287 0.226
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0017 0.0245 0.0336
Brugia malayi bHLH-PAS transcription factor 0.0036 0.0943 0.1079
Plasmodium falciparum eukaryotic initiation factor 4A 0.0148 0.499 1
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0013 0.0092 0.0025
Toxoplasma gondii thioredoxin reductase 0.0046 0.1287 0.226
Schistosoma mansoni ankyrin 23/unc44 0.0015 0.019 0.0269
Mycobacterium tuberculosis Probable oxidoreductase 0.0116 0.3828 0.7572
Leishmania major eukaryotic initiation factor 4a, putative 0.0148 0.499 1
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0148 0.499 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0938 0.1144
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.8737 1
Echinococcus multilocularis Aryl hydrocarbon receptor nuclear 0.0013 0.0092 0.0113
Trypanosoma brucei trypanothione reductase 0.0046 0.1287 0.2459
Echinococcus granulosus nuclear factor of activated T cells 5 0.0237 0.8202 1
Brugia malayi Pre-SET motif family protein 0.0251 0.8737 1
Schistosoma mansoni hypothetical protein 0.0205 0.7045 1
Brugia malayi Uncoordinated protein 44 0.0015 0.019 0.0217
Loa Loa (eye worm) hypothetical protein 0.0016 0.0194 0.0223
Echinococcus granulosus geminin 0.0205 0.7045 0.859
Brugia malayi isocitrate dehydrogenase 0.0017 0.0245 0.028
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0206 0.0256
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0206 0.0256
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0148 0.499 0.4946
Echinococcus granulosus Aryl hydrocarbon receptor nuclear 0.0013 0.0092 0.0113
Entamoeba histolytica DEAD/DEAH box helicase, putative 0.0148 0.499 1
Echinococcus granulosus aryl hydrocarbon receptor 0.0013 0.0092 0.0113
Leishmania major PAS-domain containing phosphoglycerate kinase, putative 0.0013 0.0092 0.0025
Mycobacterium tuberculosis Probable dehydrogenase 0.0104 0.3407 0.6692
Echinococcus multilocularis isocitrate dehydrogenase 0.0017 0.0245 0.0299
Loa Loa (eye worm) cytochrome P450 family protein 0.0012 0.008 0.0091
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0016 0.0206 0.0256
Trypanosoma cruzi STE group serine/threonine-protein kinase, putative 0.0013 0.0092 0.0025
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0016 0.0206 0.0256
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0148 0.499 1
Schistosoma mansoni hypothetical protein 0.0015 0.019 0.0269
Echinococcus granulosus single minded 2 0.0036 0.0943 0.115
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0016 0.0206 0.0256
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0938 0.1331
Mycobacterium tuberculosis Probable reductase 0.0104 0.3407 0.6692
Brugia malayi hypothetical protein 0.0164 0.5574 0.6379
Mycobacterium tuberculosis Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog) 0.0148 0.499 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0.0206 0.5
Trypanosoma cruzi STE group serine/threonine-protein kinase, putative 0.0013 0.0092 0.0025
Echinococcus multilocularis eukaryotic initiation factor 4A III 0.0148 0.499 0.6084

Activities

Activity type Activity value Assay description Source Reference
EC50 (binding) = 61.483 um PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Identify Inhibitors of Mex-5 Binding to TCR-2. (Class of assay: confirmatory) [Related pubchem assays: 1833 (Project Summary), 1832 (Primary HTS)] ChEMBL. No reference
EC50 (binding) = 110.202 um PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Identify Inhibitors of POS-1 Binding to mex-3-RNA. (Class of assay: confirmatory) [Related pubchem assays: 1833 (Project Summary), 1832 (Primary HTS)] ChEMBL. No reference
IC50 (binding) > 100 um PUBCHEM_BIOASSAY: In Vitro Hsp70 Dose Response Fluorescence Polarization Assay for SAR Study. (Class of assay: confirmatory) [Related pubchem assays: 786, 583 ] ChEMBL. No reference
IC50 (binding) > 100 um PUBCHEM_BIOASSAY: GAPDH Dose Response Colorimetric Assay. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (binding) > 100 um PUBCHEM_BIOASSAY: In Vitro Hsc70 Dose Response Fluorescence Polarization Assay. (Class of assay: confirmatory) [Related pubchem assays: 1072 ] ChEMBL. No reference
Potency (functional) = 3.1623 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) 7.9433 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 10 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) 18.3564 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 for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Fluorescein Labeled MLL-derived Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 26.6795 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) 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 (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 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) = 44.6684 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 44.6684 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.6684 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
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS of Trypanosoma Brucei Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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