Detailed information for compound 673410

Basic information

Technical information
  • TDR Targets ID: 673410
  • Name: ST5190770
  • MW: 340.356 | Formula: C16H12N4O3S
  • H donors: 0 H acceptors: 3 LogP: 1.98 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1ccc(cc1)n1c(=O)c2c(c1=O)n1c(s2)nnc(c1=O)C
  • InChi: 1S/C16H12N4O3S/c1-3-9-4-6-10(7-5-9)19-14(22)11-12(15(19)23)24-16-18-17-8(2)13(21)20(11)16/h4-7H,3H2,1-2H3
  • InChiKey: QNFGFJQLGPBPJR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • Oprea1_833094
  • ChemDiv1_024057
  • BAS 03013626
  • Oprea1_455492
  • MLS000111932
  • SMR000107851
  • ZINC04041092

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lamin A/C Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 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
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
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
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania mexicana 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
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative 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
Mycobacterium ulcerans 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 japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium tuberculosis Probable 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum hypothetical protein 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
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
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
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0141 0.0126
Echinococcus granulosus SUMO activating enzyme subunit 1 0.0047 0.036 0.0345
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0029 0.0137 0.0519
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0061 0.053 0.2861
Brugia malayi PAN domain containing protein 0.0018 0.0012 0.0054
Toxoplasma gondii hypothetical protein 0.0047 0.036 0.1058
Toxoplasma gondii HEAT repeat-containing protein 0.0028 0.0129 0.0357
Echinococcus multilocularis importin subunit beta 1 0.0028 0.0129 0.0114
Plasmodium falciparum thioredoxin reductase 0.0083 0.0799 0.3981
Echinococcus multilocularis lamin dm0 0.0033 0.0185 0.017
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0685 0.3725
Brugia malayi Phosphoglycerate kinase 0.0165 0.1812 0.8005
Schistosoma mansoni hypothetical protein 0.008 0.0772 0.0757
Schistosoma mansoni lamin 0.0033 0.0185 0.017
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0129 0.0632
Brugia malayi Apoptosis regulator proteins, Bcl-2 family protein 0.008 0.0772 0.341
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.091 0.3454
Loa Loa (eye worm) thioredoxin reductase 0.0083 0.0799 0.2317
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0029 0.0137 0.0047
Toxoplasma gondii NADPH-glutathione reductase 0.0029 0.0137 0.0381
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0029 0.0137 0.0676
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0092 0.091 0.4981
Echinococcus granulosus importin subunit beta 1 0.0028 0.0129 0.0114
Schistosoma mansoni phosphoglycerate kinase 0.0165 0.1812 0.1799
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0029 0.0137 0.0676
Mycobacterium ulcerans phosphoglycerate kinase 0.0165 0.1812 1
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0685 0.067
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0029 0.0137 0.0676
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0029 0.0137 0.0676
Toxoplasma gondii PAN domain-containing protein 0.0286 0.3297 1
Giardia lamblia Phosphoglycerate kinase 0.0165 0.1812 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0029 0.0137 0.0676
Trypanosoma cruzi polo-like protein kinase, putative 0.0092 0.091 0.4981
Echinococcus multilocularis thioredoxin glutathione reductase 0.0083 0.0805 0.0791
Brugia malayi RNA, U transporter 1 0.008 0.0762 0.3367
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0185 0.0819
Loa Loa (eye worm) hypothetical protein 0.0047 0.036 0.1043
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.091 0.3454
Trichomonas vaginalis glutathione reductase, putative 0.0029 0.0137 0.0469
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0021 0.0044 0.0195
Loa Loa (eye worm) PAN domain-containing protein 0.0018 0.0012 0.0035
Loa Loa (eye worm) hypothetical protein 0.0032 0.0178 0.0516
Schistosoma mansoni microtubule-associated protein tau 0.0833 1 1
Trypanosoma brucei ubiquitin-activating enzyme E1, putative 0.0031 0.0164 0.0823
Echinococcus multilocularis dna polymerase eta 0.0043 0.0319 0.0304
Schistosoma mansoni ubiquitin-activating enzyme E1b 0.0031 0.0164 0.0148
Loa Loa (eye worm) hypothetical protein 0.0033 0.0185 0.0537
Schistosoma mansoni serine/threonine protein kinase 0.0092 0.091 0.0896
Loa Loa (eye worm) hypothetical protein 0.0018 0.0012 0.0035
Brugia malayi PAN domain containing protein 0.0018 0.0012 0.0054
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.021 0.2355 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.0685 0.286
Trypanosoma cruzi trypanothione reductase, putative 0.0029 0.0137 0.0676
Brugia malayi PAN domain containing protein 0.0018 0.0012 0.0054
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0064 0.0188
Loa Loa (eye worm) hypothetical protein 0.0165 0.1812 0.5252
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0029 0.0137 0.0676
Toxoplasma gondii phosphoglycerate kinase PGKI 0.0165 0.1812 0.5478
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0141 0.0126
Trypanosoma brucei phosphoglycerate kinase 0.0165 0.1812 1
Echinococcus granulosus sumo-activating enzyme subunit 2 0.0031 0.0164 0.0148
Echinococcus multilocularis phosphoglycerate kinase 1 0.0165 0.1812 0.1799
Echinococcus granulosus EGFP:Bcl2 fusion protein 0.008 0.0772 0.0757
Trichomonas vaginalis phosphoglycerate kinase, putative 0.0165 0.1812 0.6935
Plasmodium vivax SUMO-activating enzyme subunit 2, putative 0.0031 0.0164 0.0204
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0092 0.091 0.0896
Trypanosoma brucei DNA polymerase eta, putative 0.0043 0.0319 0.1688
Mycobacterium tuberculosis Probable oxidoreductase 0.021 0.2355 1
Echinococcus multilocularis lamin 0.0033 0.0185 0.017
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.0141 0.0126
Toxoplasma gondii ThiF family protein 0.0031 0.0164 0.0461
Onchocerca volvulus 0.0033 0.0185 0.0668
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0141 0.0126
Brugia malayi Pre-SET motif family protein 0.0029 0.0141 0.0625
Brugia malayi PAN domain containing protein 0.0018 0.0012 0.0054
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0061 0.053 0.2861
Brugia malayi PAN domain containing protein 0.0018 0.0012 0.0054
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0685 0.067
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0029 0.0137 0.0676
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0083 0.0799 0.3349
Brugia malayi Phosphoglycerate kinase 0.0061 0.053 0.2341
Plasmodium vivax SET domain protein, putative 0.0029 0.0141 0.0072
Trypanosoma brucei polo-like protein kinase 0.0092 0.091 0.4981
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.021 0.2355 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0189 0.2097 0.8898
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0016 0.007
Trypanosoma cruzi ubiquitin-activating enzyme, putative 0.0027 0.0111 0.053
Loa Loa (eye worm) hypothetical protein 0.0018 0.0012 0.0035
Loa Loa (eye worm) glutathione reductase 0.0083 0.0799 0.2317
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0029 0.0137 0.0676
Trypanosoma cruzi 3-phosphoglycerate kinase, glycosomal 0.0061 0.053 0.2861
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0029 0.0137 0.0676
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0141 0.0394
Echinococcus multilocularis EGFP:Bcl2 fusion protein 0.008 0.0772 0.0757
Loa Loa (eye worm) hypothetical protein 0.0028 0.0129 0.0375
Toxoplasma gondii thioredoxin reductase 0.0083 0.0799 0.2396
Trichomonas vaginalis set domain proteins, putative 0.023 0.2605 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.021 0.2355 1
Onchocerca volvulus 0.023 0.2605 1
Plasmodium falciparum SUMO-activating enzyme subunit 2 0.0031 0.0164 0.0204
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.0064 0.0271
Trichomonas vaginalis CAMK family protein kinase 0.0045 0.0343 0.1262
Plasmodium falciparum SUMO-activating enzyme subunit 1 0.0047 0.036 0.137
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0029 0.0137 0.0047
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0029 0.0137 0.0047
Plasmodium falciparum glutathione reductase 0.0029 0.0137 0.0047
Leishmania major phosphoglycerate kinase B, cytosolic 0.0165 0.1812 1
Echinococcus granulosus Bcl 2 ous antagonist:killer 0.008 0.0772 0.0757
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0129 0.0632
Giardia lamblia NADH oxidase lateral transfer candidate 0.0029 0.0137 0.0676
Plasmodium falciparum phosphoglycerate kinase 0.0165 0.1812 1
Wolbachia endosymbiont of Brugia malayi phosphoglycerate kinase 0.0165 0.1812 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0141 0.0126
Leishmania major importin beta-1 subunit, putative 0.0023 0.0064 0.0271
Mycobacterium tuberculosis Probable reductase 0.0189 0.2097 0.8898
Schistosoma mansoni bcl-2 homologous antagonist/killer (bak) 0.008 0.0772 0.0757
Mycobacterium tuberculosis Probable dehydrogenase 0.0189 0.2097 0.8898
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0141 0.0126
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0029 0.0137 0.0676
Brugia malayi PAN domain containing protein 0.0018 0.0012 0.0054
Schistosoma mansoni hypothetical protein 0.008 0.0772 0.0757
Trypanosoma cruzi DNA polymerase eta, putative 0.0043 0.0319 0.1688
Loa Loa (eye worm) hypothetical protein 0.0018 0.0012 0.0035
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0061 0.053 0.2861
Loa Loa (eye worm) hypothetical protein 0.0029 0.0141 0.041
Loa Loa (eye worm) hypothetical protein 0.008 0.0772 0.2237
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0029 0.0137 0.0122
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0029 0.0137 0.0676
Leishmania major PAS-domain containing phosphoglycerate kinase, putative 0.0061 0.053 0.2861
Chlamydia trachomatis phosphoglycerate kinase 0.0165 0.1812 1
Entamoeba histolytica hypothetical protein 0.0023 0.0064 0.0271
Loa Loa (eye worm) PAN domain-containing protein 0.0018 0.0012 0.0035
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0202 0.2263 0.656
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0185 0.0537
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0685 0.3725
Schistosoma mansoni phosphoglycerate kinase 0.0165 0.1812 0.1799
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0141 0.0126
Schistosoma mansoni apoptosis regulator bax 0.008 0.0772 0.0757
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0061 0.053 0.2861
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0685 0.3725
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0021 0.0044 0.0195
Trichomonas vaginalis phosphoglycerate kinase, putative 0.0165 0.1812 0.6935
Trichomonas vaginalis mercuric reductase, putative 0.0029 0.0137 0.0469
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0128 0.0113
Echinococcus granulosus phosphoglycerate kinase 1 0.0165 0.1812 0.1799
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0029 0.0137 0.0047
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0029 0.0137 0.0676
Trichomonas vaginalis importin beta-1, putative 0.0023 0.0064 0.0188
Schistosoma mansoni DNA polymerase eta 0.0043 0.0319 0.0304
Trypanosoma brucei phosphoglycerate kinase 0.0061 0.053 0.2861
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0189 0.2097 0.8898
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0685 0.3725
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0031 0.0161 0.0452
Echinococcus granulosus lamin dm0 0.0033 0.0185 0.017
Plasmodium vivax phosphoglycerate kinase, putative 0.0165 0.1812 1
Schistosoma mansoni hypothetical protein 0.008 0.0772 0.0757
Leishmania major trypanothione reductase 0.0083 0.0799 0.4362
Loa Loa (eye worm) PAN domain-containing protein 0.0018 0.0012 0.0035
Echinococcus multilocularis microtubule associated protein 2 0.0833 1 1
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0029 0.0137 0.0676
Echinococcus multilocularis SUMO activating enzyme subunit 1 0.0047 0.036 0.0345
Schistosoma mansoni importin beta-1 0.0028 0.0129 0.0114
Trypanosoma cruzi DNA polymerase eta, putative 0.0031 0.0161 0.0806
Loa Loa (eye worm) PAN domain-containing protein 0.0018 0.0012 0.0035
Loa Loa (eye worm) hypothetical protein 0.0018 0.0012 0.0035
Schistosoma mansoni kinase 0.0047 0.0358 0.0342
Brugia malayi Pre-SET motif family protein 0.0202 0.2263 1
Schistosoma mansoni sumo-1-activating enzyme E1a 0.0043 0.0307 0.0292
Loa Loa (eye worm) hypothetical protein 0.0018 0.0012 0.0035
Echinococcus granulosus dna polymerase eta 0.0043 0.0319 0.0304
Plasmodium vivax thioredoxin reductase, putative 0.0083 0.0799 0.3981
Trypanosoma brucei phosphoglycerate kinase 0.0165 0.1812 1
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0092 0.091 0.0896
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.091 0.3454
Plasmodium falciparum thioredoxin reductase 0.0029 0.0137 0.0047
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.0016 0.0046
Giardia lamblia Kinase, PLK 0.0092 0.091 0.4981
Plasmodium vivax glutathione reductase, putative 0.0083 0.0799 0.3981
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0029 0.0137 0.0676
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.091 0.3454
Brugia malayi PAN domain containing protein 0.0018 0.0012 0.0054
Echinococcus multilocularis SUMO activating enzyme subunit 2 0.0031 0.0164 0.0148
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0165 0.1812 1
Brugia malayi Thioredoxin reductase 0.0083 0.0799 0.3531
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0299 0.345 1
Onchocerca volvulus Serine\/threonine kinase homolog 0.0092 0.091 0.3464
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0092 0.091 0.2639
Echinococcus multilocularis Bcl 2 ous antagonist:killer 0.008 0.0772 0.0757
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0185 0.0537
Brugia malayi PAN domain containing protein 0.0018 0.0012 0.0054
Plasmodium vivax ubiquitin activating enzyme, putative 0.0047 0.036 0.137
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.091 0.3454
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0029 0.0137 0.0676
Brugia malayi Importin beta-1 subunit 0.0028 0.0129 0.0572
Leishmania major phosphoglycerate kinase C, glycosomal 0.0165 0.1812 1
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0029 0.0137 0.0122
Trypanosoma cruzi polo-like protein kinase, putative 0.0092 0.091 0.4981
Schistosoma mansoni lamin 0.0033 0.0185 0.017
Brugia malayi ThiF family protein 0.0047 0.036 0.159
Onchocerca volvulus 0.0029 0.0141 0.0499
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.091 0.3454
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0685 0.067
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0029 0.0137 0.0381
Loa Loa (eye worm) hypothetical protein 0.0018 0.0012 0.0035
Brugia malayi PAN domain containing protein 0.0018 0.0012 0.0054
Leishmania major DNA polymerase eta, putative 0.0031 0.0161 0.0806
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0029 0.0137 0.0676
Brugia malayi glutathione reductase 0.0083 0.0799 0.3531
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0685 0.067
Treponema pallidum phosphoglycerate kinase 0.0165 0.1812 1
Toxoplasma gondii PAN domain-containing protein 0.0286 0.3297 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0083 0.0805 0.0791
Loa Loa (eye worm) hypothetical protein 0.0018 0.0012 0.0035
Trichomonas vaginalis CAMK family protein kinase 0.0045 0.0343 0.1262
Brugia malayi serine/threonine-protein kinase plk-2 0.0092 0.091 0.4023
Loa Loa (eye worm) PAN domain-containing protein 0.0018 0.0012 0.0035
Leishmania major DNA polymerase eta, putative 0.0043 0.0319 0.1688
Schistosoma mansoni hypothetical protein 0.0299 0.345 0.3439
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0029 0.0137 0.0606
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0064 0.0188
Trypanosoma cruzi ubiquitin-activating enzyme, putative 0.0031 0.0164 0.0823
Schistosoma mansoni intermediate filament proteins 0.0033 0.0185 0.017
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0189 0.2097 0.8898
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.091 0.3454
Echinococcus multilocularis musashi 0.0033 0.0185 0.017
Echinococcus granulosus intermediate filament protein 0.0033 0.0185 0.017
Echinococcus granulosus snurportin 1 0.0299 0.345 0.3439
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0029 0.0137 0.0676
Schistosoma mansoni sumo-1-activating enzyme E1a 0.0047 0.036 0.0345
Brugia malayi PAN domain containing protein 0.0018 0.0012 0.0054
Trypanosoma brucei phosphoglycerate kinase, putative 0.0061 0.053 0.2861
Brugia malayi ThiF family protein 0.0031 0.0164 0.0723
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0189 0.2097 0.5251
Entamoeba histolytica phosphoglycerate kinase, putative 0.0165 0.1812 1
Echinococcus granulosus lamin 0.0033 0.0185 0.017
Onchocerca volvulus 0.0033 0.0185 0.0668
Echinococcus multilocularis snurportin 1 0.0299 0.345 0.3439
Loa Loa (eye worm) hypothetical protein 0.0043 0.0319 0.0925
Loa Loa (eye worm) ThiF family protein 0.0031 0.0164 0.0474
Mycobacterium tuberculosis Probable phosphoglycerate kinase Pgk 0.0165 0.1812 0.7678
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0165 0.1812 1
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0685 0.2048
Leishmania major ubiquitin-activating enzyme-like protein 0.0031 0.0164 0.0823
Trypanosoma cruzi trypanothione reductase, putative 0.0083 0.0799 0.4362
Trypanosoma brucei trypanothione reductase 0.0083 0.0799 0.4362
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0029 0.0137 0.0676
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0189 0.2097 0.8898
Loa Loa (eye worm) apoptosis regulator protein 0.008 0.0772 0.2237
Toxoplasma gondii phosphoglycerate kinase PGKII 0.0165 0.1812 0.5478
Brugia malayi ImpB/MucB/SamB family protein 0.0043 0.0319 0.141
Brugia malayi intermediate filament protein 0.0033 0.0185 0.0819
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0029 0.0137 0.0676
Plasmodium falciparum glutathione reductase 0.0083 0.0799 0.3981
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0029 0.0137 0.0122
Entamoeba histolytica serine/threonine protein kinase, putative 0.0092 0.091 0.4981

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.2332 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) 1.4716 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) = 5.0119 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) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 15.8489 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) 15.8489 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HADH2 (Hydroxyacyl-Coenzyme A Dehydrogenase, Type II). (Class of assay: confirmatory) 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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