Detailed information for compound 1588939

Basic information

Technical information
  • TDR Targets ID: 1588939
  • Name: 2-(2-hydroxycyclohexyl)sulfanylethylurea
  • MW: 218.316 | Formula: C9H18N2O2S
  • H donors: 3 H acceptors: 2 LogP: 0.27 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=O)NCCSC1CCCCC1O
  • InChi: 1S/C9H18N2O2S/c10-9(13)11-5-6-14-8-4-2-1-3-7(8)12/h7-8,12H,1-6H2,(H3,10,11,13)
  • InChiKey: LPJFDYCMMGHABD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[(2-hydroxycyclohexyl)thio]ethylurea
  • NCI60_041618
  • NSC73827
  • AIDS-053560
  • AIDS053560
  • [2-(2-Hydroxy-cyclohexylsulfanyl)-ethyl]-urea
  • N-(2-((2-hydroxycyclohexyl)thio)ethyl)urea

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0025 0.0758 0.1786
Loa Loa (eye worm) oxidoreductase 0.0007 0.0118 0.0108
Mycobacterium ulcerans O-succinylbenzoic acid--CoA ligase 0.0007 0.0118 0.1448
Leishmania major DNA damage repair protein, putative 0.0006 0.0071 0.0112
Trichomonas vaginalis antibiotic synthetase, putative 0.0007 0.0118 0.0199
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0016 0.0446 0.0802
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0007 0.0118 0.1448
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0016 0.0446 0.1042
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0556 0.0547
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0016 0.0446 0.0802
Mycobacterium ulcerans acetyl-CoA synthetase 0.0007 0.0118 0.1448
Brugia malayi glutathione reductase 0.0047 0.1566 0.1557
Schistosoma mansoni disulfide oxidoreductase 0.0004 0.001 0.0019
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0118 0.0259
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.0492 0.1151
Mycobacterium tuberculosis Probable dehydrogenase 0.0108 0.376 0.8958
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0047 0.1566 0.3716
Plasmodium falciparum glutathione reductase 0.0016 0.0446 0.0802
Trypanosoma brucei acetyl-CoA synthetase, putative 0.0007 0.0118 0.0199
Echinococcus multilocularis cpg binding protein 0.003 0.0939 0.1674
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0025 0.0758 0.1786
Mycobacterium tuberculosis Probable oxidoreductase 0.012 0.4196 1
Plasmodium falciparum DNA repair protein REV1, putative 0.0006 0.0071 0.0112
Mycobacterium leprae POSSIBLE FATTY-ACID-CoA LIGASE FADD10 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0007 0.0118 0.0259
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0085 0.0138
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.012 0.4196 1
Trypanosoma cruzi hypothetical protein, conserved 0.0006 0.0071 0.0112
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0758 0.1375
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0556 0.7303
Trichomonas vaginalis mercuric reductase, putative 0.0016 0.0446 0.0802
Mycobacterium ulcerans hypothetical protein 0.0025 0.0758 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0007 0.0118 0.1448
Echinococcus granulosus mixed lineage leukemia protein mll 0.0007 0.0108 0.0176
Trichomonas vaginalis glutathione reductase, putative 0.0016 0.0446 0.0802
Echinococcus multilocularis ubiquitin conjugating enzyme E2 N 0.0154 0.5447 0.9802
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0016 0.0446 0.5831
Plasmodium falciparum thioredoxin reductase 0.0016 0.0446 0.0802
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0007 0.0118 0.0259
Giardia lamblia DNA damage repair protein 0.0006 0.0071 0.1114
Trypanosoma cruzi trypanothione reductase, putative 0.0047 0.1566 0.2861
Trypanosoma brucei DNA polymerase kappa, putative 0.0006 0.0071 0.0112
Mycobacterium ulcerans hypothetical protein 0.0006 0.0071 0.0813
Brugia malayi acetyl-Coenzyme A synthetase 2 0.0007 0.0118 0.0108
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.088 0.0871
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0019 0.0556 0.1004
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0085 0.0138
Plasmodium falciparum ubiquitin-conjugating enzyme E2 N, putative 0.0154 0.5447 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0025 0.0758 0.1786
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtE 0.0007 0.0118 0.1448
Mycobacterium tuberculosis Conserved hypothetical protein 0.0019 0.0556 0.1305
Trichomonas vaginalis DNA polymerase eta, putative 0.0019 0.0556 0.1004
Schistosoma mansoni DNA polymerase IV / kappa 0.0006 0.0071 0.013
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0154 0.5447 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0007 0.0118 0.1448
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.012 0.4196 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.0492 0.1151
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0016 0.0446 0.0802
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0108 0.376 0.8958
Schistosoma mansoni cpg binding protein 0.0028 0.088 0.1616
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0556 0.1004
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0016 0.0446 0.0802
Trypanosoma brucei hypothetical protein, conserved 0.0006 0.0071 0.0112
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0556 0.1004
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0556 0.7303
Schistosoma mansoni ubiquitin conjugating enzyme 13 0.0154 0.5447 1
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0085 0.0138
Loa Loa (eye worm) hypothetical protein 0.0157 0.5557 0.5553
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0007 0.0108 0.0176
Mycobacterium ulcerans peptide synthetase Nrp (peptide synthase) 0.0007 0.0118 0.1448
Echinococcus multilocularis muscleblind protein 1 0.0157 0.5557 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0529 0.0519
Loa Loa (eye worm) hypothetical protein 0.0007 0.0118 0.0108
Schistosoma mansoni glutamate synthase 0.0004 0.001 0.0019
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0556 0.1004
Treponema pallidum NADH oxidase 0.0016 0.0446 1
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0016 0.0446 0.0802
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0446 0.0802
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0085 0.0138
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0016 0.0446 0.0802
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0108 0.376 0.8958
Toxoplasma gondii NADPH-glutathione reductase 0.0016 0.0446 0.0802
Schistosoma mansoni glutamate synthase 0.0004 0.001 0.0019
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0016 0.0446 0.0802
Echinococcus granulosus cpg binding protein 0.003 0.0939 0.1674
Schistosoma mansoni DNA polymerase eta 0.0019 0.0556 0.1021
Loa Loa (eye worm) hypothetical protein 0.0025 0.0758 0.0749
Mycobacterium ulcerans acyl-CoA synthetase 0.0007 0.0118 0.1448
Brugia malayi AMP-binding enzyme family protein 0.0007 0.0118 0.0108
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.0492 0.1151
Echinococcus granulosus ubiquitin conjugating enzyme E2 N 0.0154 0.5447 0.9802
Plasmodium vivax DNA repair protein REV1, putative 0.0006 0.0071 0.0112
Mycobacterium tuberculosis Probable reductase 0.0108 0.376 0.8958
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0007 0.0118 0.0199
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0016 0.0446 0.0802
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0016 0.0446 0.0437
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.017 0.0289
Echinococcus granulosus muscleblind protein 0.0157 0.5557 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0758 0.1375
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0016 0.0446 0.0802
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0007 0.0118 0.0259
Trypanosoma brucei long-chain-fatty-acid-CoA ligase, putative 0.0007 0.0118 0.0199
Trypanosoma brucei DNA polymerase eta, putative 0.0019 0.0556 0.1004
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0556 0.1004
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0118 0.0259
Trypanosoma brucei chrX additional, unordered contigs 0.0006 0.0071 0.0112
Echinococcus multilocularis dna polymerase kappa 0.0019 0.0556 0.0985
Trichomonas vaginalis antibiotic synthetase, putative 0.0007 0.0118 0.0199
Brugia malayi AMP-binding enzyme family protein 0.0007 0.0118 0.0108
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0016 0.0446 0.0802
Onchocerca volvulus 0.0007 0.0118 0.1245
Loa Loa (eye worm) hypothetical protein 0.0019 0.0529 0.0519
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.0338 0.0603
Loa Loa (eye worm) hypothetical protein 0.0025 0.0758 0.0749
Trypanosoma cruzi trypanothione reductase, putative 0.0016 0.0446 0.0802
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0007 0.0118 0.0199
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0016 0.0446 0.0786
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.0338 0.0603
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0446 0.0802
Trypanosoma brucei DNA polymerase kappa, putative 0.0006 0.0071 0.0112
Leishmania major long-chain-fatty-acid-CoA ligase, putative 0.0007 0.0118 0.0199
Plasmodium falciparum acetyl-CoA synthetase, putative 0.0007 0.0118 0.0199
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0085 0.0138
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0556 0.1004
Onchocerca volvulus 0.0007 0.0118 0.1245
Echinococcus multilocularis thioredoxin glutathione reductase 0.0047 0.1566 0.2804
Entamoeba histolytica acyl-coA synthetase, putative 0.0025 0.0758 0.1375
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0025 0.0758 0.1786
Trichomonas vaginalis helicase, putative 0.0006 0.0085 0.0138
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0085 0.0138
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0007 0.0108 0.0176
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0085 0.0138
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0758 0.0749
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0016 0.0446 0.0819
Brugia malayi AMP-binding enzyme family protein 0.0007 0.0118 0.0108
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0016 0.0446 0.0786
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0007 0.0118 0.0259
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0019 0.0529 0.124
Plasmodium falciparum thioredoxin reductase 0.0047 0.1566 0.2861
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0006 0.0071 0.0112
Loa Loa (eye worm) hypothetical protein 0.0025 0.0758 0.0749
Entamoeba histolytica acyl-CoA synthetase, putative 0.0025 0.0758 0.1375
Mycobacterium tuberculosis PROBABLE FATTY-ACID-CoA LIGASE FADD18 (FRAGMENT) (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0006 0.0082 0.017
Leishmania major DNA polymerase kappa, putative 0.0006 0.0071 0.0112
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0556 0.1004
Schistosoma mansoni cpg binding protein 0.003 0.0939 0.1723
Entamoeba histolytica ubiquitin-conjugating enzyme family protein 0.0154 0.5447 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0108 0.376 0.8958
Echinococcus multilocularis dna polymerase eta 0.0019 0.0556 0.0985
Toxoplasma gondii ubiquitin-conjugating enzyme subfamily protein 0.0154 0.5447 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0758 0.1375
Loa Loa (eye worm) hypothetical protein 0.0019 0.0529 0.0519
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0025 0.0758 1
Toxoplasma gondii histone lysine methyltransferase SET1 0.0054 0.1799 0.329
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0556 0.1004
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0007 0.0118 0.0108
Toxoplasma gondii BRCA1 C Terminus (BRCT) domain-containing protein 0.0006 0.0071 0.0112
Trypanosoma cruzi DNA polymerase eta, putative 0.0019 0.0556 0.1004
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0446 0.0802
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.0338 0.0603
Echinococcus granulosus acetyl coenzyme A synthetase cytoplasmic 0.0007 0.0118 0.0195
Brugia malayi Thioredoxin reductase 0.0047 0.1566 0.1557
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0085 0.0138
Mycobacterium ulcerans bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ACP synthetase 0.0007 0.0118 0.1448
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0016 0.0446 0.0802
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0085 0.0138
Toxoplasma gondii thioredoxin reductase 0.0047 0.1566 0.2861
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.0556 0.1021
Brugia malayi Ubiquitin conjugating enzyme protein 13 0.0154 0.5447 0.5442
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0556 0.1004
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0.0446 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0529 0.0519
Onchocerca volvulus 0.0007 0.0118 0.1245
Giardia lamblia DINP protein human, muc B family 0.0019 0.0556 1
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0556 0.1004
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0154 0.5447 1
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0154 0.5447 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0025 0.0758 0.1375
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0016 0.0446 0.5831
Echinococcus granulosus thioredoxin glutathione reductase 0.0047 0.1566 0.2804
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.0492 0.1151
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0758 1
Onchocerca volvulus 0.0025 0.0758 0.8598
Mycobacterium leprae Probable fatty-acid-CoA synthetase FadD22 (fatty-acid-CoA ligase) (fatty-acid-CoA synthase) 0.0007 0.0118 0.0259
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0007 0.0118 0.0199
Mycobacterium ulcerans acyl-CoA synthetase 0.0007 0.0118 0.1448
Toxoplasma gondii Acetyl-coenzyme A synthetase 2, putative 0.0007 0.0118 0.0199
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0016 0.0446 0.0802
Echinococcus granulosus dna polymerase eta 0.0019 0.0556 0.0985
Brugia malayi polk-prov protein 0.0006 0.0071 0.0061
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0016 0.0446 0.0802
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0758 0.0749
Brugia malayi ubiquitin conjugating enzyme protein 13 0.0154 0.5447 0.5442
Mycobacterium ulcerans acyl-CoA synthetase 0.0007 0.0118 0.1448
Toxoplasma gondii propionate-CoA ligase 0.0007 0.0118 0.0199
Trypanosoma brucei unspecified product 0.0013 0.0338 0.0603
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0016 0.0446 0.8403
Brugia malayi AMP-binding enzyme family protein 0.0007 0.0118 0.0108
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0446 0.0802
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0556 0.1004
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0446 0.0802
Mycobacterium leprae POSSIBLE O-SUCCINYLBENZOIC ACID--CoA LIGASE MENE (OSB-CoA SYNTHETASE) (O-SUCCINYLBENZOATE-CoA SYNTHASE) 0.0007 0.0118 0.0259
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0154 0.5447 1
Plasmodium vivax thioredoxin reductase, putative 0.0047 0.1566 0.2861
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0019 0.0529 0.6939
Echinococcus multilocularis acetyl coenzyme A synthetase, cytoplasmic 0.0007 0.0118 0.0195
Leishmania major acetyl-CoA synthetase, putative 0.0007 0.0118 0.0199
Trypanosoma cruzi DNA damage repair protein, putative 0.0006 0.0071 0.0112
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.012 0.4196 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0085 0.0138
Plasmodium falciparum acyl-CoA synthetase 0.0019 0.0529 0.0954
Schistosoma mansoni hypothetical protein 0.0004 0.001 0.0019
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0556 0.1004
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0007 0.0118 0.0108
Trypanosoma brucei DNA damage repair protein, putative 0.0006 0.0071 0.0112
Schistosoma mansoni glutamate synthase 0.0004 0.001 0.0019
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0166 0.0156
Plasmodium vivax acetyl-CoA synthetase, putative 0.0007 0.0118 0.0199
Plasmodium vivax acyl-CoA synthetase, putative 0.0019 0.0529 0.0954
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0085 0.0138
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.017 0.0289
Entamoeba histolytica long-chain-fatty-acid--CoA ligase, putative 0.0007 0.0118 0.0199
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0556 0.1004
Trypanosoma cruzi hypothetical protein, conserved 0.0006 0.0071 0.0112
Loa Loa (eye worm) hypothetical protein 0.0019 0.0529 0.0519
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0154 0.5447 0.5442
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0556 0.0547
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0118 0.0259
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0016 0.0446 0.5831
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.0108 0.0198
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0007 0.0118 0.0259
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtF 0.0007 0.0118 0.1448
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0556 0.1004
Schistosoma mansoni sulfide quinone reductase 0.0004 0.001 0.0019
Onchocerca volvulus 0.0007 0.0118 0.1245
Plasmodium falciparum glutathione reductase 0.0047 0.1566 0.2861
Loa Loa (eye worm) follicle stimulating hormone receptor 0.028 1 1
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0007 0.0108 0.0176
Giardia lamblia NADH oxidase lateral transfer candidate 0.0016 0.0446 0.7985
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0758 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0556 0.1004
Loa Loa (eye worm) histone methyltransferase 0.0009 0.017 0.016
Trypanosoma brucei unspecified product 0.0013 0.0338 0.0603
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0556 0.1004
Trypanosoma brucei trypanothione reductase 0.0047 0.1566 0.2861
Mycobacterium ulcerans acyl-CoA synthetase 0.0007 0.0118 0.1448
Loa Loa (eye worm) hypothetical protein 0.0019 0.0556 0.0547
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0007 0.0118 0.0108
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0758 1
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0019 0.0556 0.1004
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0016 0.0446 0.0802
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0556 0.1004
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0019 0.0529 1
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.0556 0.0985
Leishmania major ubiquitin-conjugating enzyme e2, putative 0.0154 0.5447 1
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0108 0.376 0.8958
Plasmodium vivax glutathione reductase, putative 0.0047 0.1566 0.2861
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0758 0.0749
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0007 0.0118 0.0259
Schistosoma mansoni acetyl-CoA synthetase 0.0007 0.0118 0.0218
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0006 0.0071 0.0112
Trypanosoma brucei DNA damage repair protein, putative 0.0006 0.0071 0.0112
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0085 0.0138
Schistosoma mansoni mixed-lineage leukemia protein mll 0.006 0.2032 0.373
Leishmania major trypanothione reductase 0.0047 0.1566 0.2861
Onchocerca volvulus 0.0028 0.088 1
Leishmania major DNA polymerase eta, putative 0.0006 0.0071 0.0112
Trypanosoma brucei hypothetical protein, conserved 0.0006 0.0071 0.0112
Trypanosoma cruzi DNA polymerase eta, putative 0.0006 0.0071 0.0112
Loa Loa (eye worm) hypothetical protein 0.0157 0.5557 0.5553
Mycobacterium ulcerans acyl-CoA synthetase 0.0007 0.0118 0.1448
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0108 0.376 0.8958
Echinococcus granulosus dna polymerase kappa 0.0019 0.0556 0.0985
Mycobacterium ulcerans long-chain-acyl-CoA synthetase 0.0007 0.0118 0.1448
Trypanosoma brucei unspecified product 0.0019 0.0556 0.1004
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0085 0.0138
Mycobacterium ulcerans acyl-CoA synthetase 0.0007 0.0118 0.1448
Schistosoma mansoni sulfide quinone reductase 0.0004 0.001 0.0019
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0007 0.0118 0.0259
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.0556 0.0547
Leishmania major DNA polymerase eta, putative 0.0019 0.0556 0.1004
Leishmania major DNA polymerase kappa, putative 0.0019 0.0556 0.1004
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0085 0.0138
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0446 0.0802
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0025 0.0758 1
Leishmania major acetyl-CoA synthetase, putative 0.0007 0.0118 0.0199
Brugia malayi CXXC zinc finger family protein 0.0028 0.088 0.0871
Schistosoma mansoni cpg binding protein 0.003 0.0939 0.1723
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0012 0.0289 0.0279
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0019 0.0556 0.1305
Plasmodium vivax ubiquitin-conjugating enzyme E2 N, putative 0.0154 0.5447 1
Entamoeba histolytica deoxycytidyl transferase, putative 0.0019 0.0556 0.1004
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0118 0.0259
Loa Loa (eye worm) thioredoxin reductase 0.0047 0.1566 0.1557
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.0556 0.1021
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0006 0.0085 0.0138
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0154 0.5447 0.5442
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0556 0.1004
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.0556 0.0985
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0007 0.0118 0.0199
Brugia malayi Muscleblind-like protein 0.0157 0.5557 0.5553
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0.0446 1
Mycobacterium ulcerans phenyloxazoline synthase MbtB 0.0007 0.0118 0.1448
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0016 0.0446 0.0802
Loa Loa (eye worm) hypothetical protein 0.0006 0.0071 0.0061
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0007 0.0118 0.0199
Trypanosoma brucei ubiquitin-protein ligase, putative 0.0154 0.5447 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0085 0.0138
Trypanosoma cruzi DNA damage repair protein, putative 0.0006 0.0071 0.0112
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0025 0.0758 1
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0007 0.0118 0.0259
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0006 0.0085 0.0138
Loa Loa (eye worm) glutathione reductase 0.0047 0.1566 0.1557
Echinococcus multilocularis muscleblind protein 0.0157 0.5557 1
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0025 0.0758 1
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0012 0.0289 0.0279
Loa Loa (eye worm) hypothetical protein 0.0007 0.0118 0.0108

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory) 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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