Detailed information for compound 1321363

Basic information

Technical information
  • TDR Targets ID: 1321363
  • Name: 2-[(1S,2S)-2-hydroxycyclohexyl]sulfanylethylu rea
  • 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)NCCS[C@H]1CCCC[C@@H]1O
  • 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)/t7-,8-/m0/s1
  • InChiKey: LPJFDYCMMGHABD-YUMQZZPRSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[[(1S,2S)-2-hydroxycyclohexyl]thio]ethylurea
  • NCGC00013812
  • NSC-73827
  • NCIStruc1_000354
  • NCI73827
  • NCIStruc2_000517

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens thyroid stimulating hormone receptor 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) follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Brugia malayi follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
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
Echinococcus granulosus dna polymerase kappa 0.0019 0.0556 0.0985
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
Mycobacterium ulcerans 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 long-chain-acyl-CoA synthetase 0.0007 0.0118 0.1448
Schistosoma mansoni mixed-lineage leukemia protein mll 0.006 0.2032 0.373
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0085 0.0138
Leishmania major trypanothione reductase 0.0047 0.1566 0.2861
Trypanosoma brucei DNA damage repair protein, putative 0.0006 0.0071 0.0112
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0006 0.0071 0.0112
Schistosoma mansoni acetyl-CoA synthetase 0.0007 0.0118 0.0218
Mycobacterium ulcerans acyl-CoA synthetase 0.0007 0.0118 0.1448
Loa Loa (eye worm) hypothetical protein 0.0157 0.5557 0.5553
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0108 0.376 0.8958
Trypanosoma cruzi DNA polymerase eta, putative 0.0006 0.0071 0.0112
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
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.0556 0.0985
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0019 0.0529 1
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0016 0.0446 0.0802
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0556 0.1004
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0019 0.0556 0.1004
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
Plasmodium vivax glutathione reductase, putative 0.0047 0.1566 0.2861
Leishmania major ubiquitin-conjugating enzyme e2, putative 0.0154 0.5447 1
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0108 0.376 0.8958
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
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
Trypanosoma cruzi DNA damage repair protein, putative 0.0006 0.0071 0.0112
Mycobacterium ulcerans 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
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0025 0.0758 1
Echinococcus multilocularis muscleblind protein 0.0157 0.5557 1
Loa Loa (eye worm) glutathione reductase 0.0047 0.1566 0.1557
Brugia malayi Muscleblind-like protein 0.0157 0.5557 0.5553
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
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0085 0.0138
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
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
Loa Loa (eye worm) hypothetical protein 0.0006 0.0071 0.0061
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0016 0.0446 0.0802
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 Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0019 0.0556 0.1305
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
Leishmania major acetyl-CoA synthetase, putative 0.0007 0.0118 0.0199
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0556 0.1004
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
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
Leishmania major DNA polymerase kappa, putative 0.0019 0.0556 0.1004
Leishmania major DNA polymerase eta, putative 0.0019 0.0556 0.1004
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.0556 0.0547
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0025 0.0758 1
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0085 0.0138
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0446 0.0802
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0446 0.0802
Brugia malayi AMP-binding enzyme family protein 0.0007 0.0118 0.0108
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0016 0.0446 0.8403
Mycobacterium leprae POSSIBLE O-SUCCINYLBENZOIC ACID--CoA LIGASE MENE (OSB-CoA SYNTHETASE) (O-SUCCINYLBENZOATE-CoA SYNTHASE) 0.0007 0.0118 0.0259
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0446 0.0802
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0556 0.1004
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
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0758 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.0492 0.1151
Echinococcus granulosus thioredoxin glutathione reductase 0.0047 0.1566 0.2804
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
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
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0016 0.0446 0.0802
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0016 0.0446 0.0802
Brugia malayi polk-prov protein 0.0006 0.0071 0.0061
Echinococcus granulosus dna polymerase eta 0.0019 0.0556 0.0985
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0007 0.0118 0.0199
Toxoplasma gondii Acetyl-coenzyme A synthetase 2, putative 0.0007 0.0118 0.0199
Mycobacterium ulcerans acyl-CoA synthetase 0.0007 0.0118 0.1448
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
Giardia lamblia DINP protein human, muc B family 0.0019 0.0556 1
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
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0016 0.0446 0.5831
Entamoeba histolytica acyl-CoA synthetase, putative 0.0025 0.0758 0.1375
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
Echinococcus granulosus acetyl coenzyme A synthetase cytoplasmic 0.0007 0.0118 0.0195
Brugia malayi Thioredoxin reductase 0.0047 0.1566 0.1557
Mycobacterium ulcerans bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ACP synthetase 0.0007 0.0118 0.1448
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0085 0.0138
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.0338 0.0603
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 0.0019 0.0556 0.1004
Toxoplasma gondii thioredoxin reductase 0.0047 0.1566 0.2861
Brugia malayi Ubiquitin conjugating enzyme protein 13 0.0154 0.5447 0.5442
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.0556 0.1021
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0556 0.1004
Trypanosoma brucei unspecified product 0.0013 0.0338 0.0603
Loa Loa (eye worm) histone methyltransferase 0.0009 0.017 0.016
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0556 0.1004
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0758 1
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
Plasmodium falciparum glutathione reductase 0.0047 0.1566 0.2861
Mycobacterium ulcerans acyl-CoA synthetase 0.0007 0.0118 0.1448
Trypanosoma brucei trypanothione reductase 0.0047 0.1566 0.2861
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0154 0.5447 0.5442
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0118 0.0259
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0556 0.0547
Loa Loa (eye worm) hypothetical protein 0.0019 0.0529 0.0519
Entamoeba histolytica long-chain-fatty-acid--CoA ligase, putative 0.0007 0.0118 0.0199
Trypanosoma cruzi hypothetical protein, conserved 0.0006 0.0071 0.0112
Trypanosoma brucei DNA polymerase kappa, 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
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtF 0.0007 0.0118 0.1448
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0007 0.0118 0.0259
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0556 0.1004
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0016 0.0446 0.5831
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.0108 0.0198
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0007 0.0118 0.0108
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0556 0.1004
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
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
Trypanosoma brucei DNA damage repair protein, putative 0.0006 0.0071 0.0112
Trypanosoma cruzi DNA damage repair protein, putative 0.0006 0.0071 0.0112
Leishmania major acetyl-CoA synthetase, putative 0.0007 0.0118 0.0199
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
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0154 0.5447 1
Plasmodium vivax thioredoxin reductase, putative 0.0047 0.1566 0.2861
Schistosoma mansoni hypothetical protein 0.0004 0.001 0.0019
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.012 0.4196 1
Plasmodium falciparum acyl-CoA synthetase 0.0019 0.0529 0.0954
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0085 0.0138
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0016 0.0446 0.0802
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0016 0.0446 0.0437
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0007 0.0118 0.0199
Mycobacterium tuberculosis Probable reductase 0.0108 0.376 0.8958
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
Echinococcus granulosus muscleblind protein 0.0157 0.5557 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0758 0.1375
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.017 0.0289
Brugia malayi AMP-binding enzyme family protein 0.0007 0.0118 0.0108
Mycobacterium ulcerans acyl-CoA synthetase 0.0007 0.0118 0.1448
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 fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.0492 0.1151
Schistosoma mansoni glutamate synthase 0.0004 0.001 0.0019
Toxoplasma gondii NADPH-glutathione reductase 0.0016 0.0446 0.0802
Loa Loa (eye worm) hypothetical protein 0.0025 0.0758 0.0749
Schistosoma mansoni DNA polymerase eta 0.0019 0.0556 0.1021
Echinococcus granulosus cpg binding protein 0.003 0.0939 0.1674
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0016 0.0446 0.0802
Treponema pallidum NADH oxidase 0.0016 0.0446 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0556 0.1004
Loa Loa (eye worm) hypothetical protein 0.0007 0.0118 0.0108
Loa Loa (eye worm) hypothetical protein 0.0019 0.0529 0.0519
Schistosoma mansoni glutamate synthase 0.0004 0.001 0.0019
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0108 0.376 0.8958
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0016 0.0446 0.0802
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0446 0.0802
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0016 0.0446 0.0802
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0085 0.0138
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0556 0.1004
Leishmania major DNA polymerase kappa, putative 0.0006 0.0071 0.0112
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
Mycobacterium tuberculosis PROBABLE FATTY-ACID-CoA LIGASE FADD18 (FRAGMENT) (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0006 0.0082 0.017
Entamoeba histolytica acyl-CoA synthetase, putative 0.0025 0.0758 0.1375
Loa Loa (eye worm) hypothetical protein 0.0025 0.0758 0.0749
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
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0025 0.0758 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0529 0.0519
Toxoplasma gondii histone lysine methyltransferase SET1 0.0054 0.1799 0.329
Toxoplasma gondii ubiquitin-conjugating enzyme subfamily protein 0.0154 0.5447 1
Echinococcus multilocularis dna polymerase eta 0.0019 0.0556 0.0985
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0758 0.1375
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0085 0.0138
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0007 0.0108 0.0176
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0085 0.0138
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
Onchocerca volvulus 0.0007 0.0118 0.1245
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0556 0.1004
Plasmodium falciparum thioredoxin reductase 0.0047 0.1566 0.2861
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0006 0.0071 0.0112
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
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0016 0.0446 0.0786
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0016 0.0446 0.0819
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0758 0.0749
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 0.0006 0.0071 0.0112
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0016 0.0446 0.0786
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.0338 0.0603
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0085 0.0138
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
Trypanosoma brucei chrX additional, unordered contigs 0.0006 0.0071 0.0112
Echinococcus multilocularis dna polymerase kappa 0.0019 0.0556 0.0985
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
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
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.0338 0.0603
Brugia malayi AMP-binding enzyme family protein 0.0007 0.0118 0.0108
Onchocerca volvulus 0.0007 0.0118 0.1245
Trichomonas vaginalis antibiotic synthetase, putative 0.0007 0.0118 0.0199
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0016 0.0446 0.0802
Loa Loa (eye worm) hypothetical protein 0.0019 0.0529 0.0519
Mycobacterium ulcerans hypothetical protein 0.0025 0.0758 1
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 acyl-CoA synthetase 0.0007 0.0118 0.1448
Echinococcus granulosus mixed lineage leukemia protein mll 0.0007 0.0108 0.0176
Trypanosoma cruzi hypothetical protein, conserved 0.0006 0.0071 0.0112
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.012 0.4196 1
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0085 0.0138
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
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0025 0.0758 0.1786
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0556 0.7303
Trichomonas vaginalis mercuric reductase, putative 0.0016 0.0446 0.0802
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0758 0.1375
Echinococcus multilocularis cpg binding protein 0.003 0.0939 0.1674
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0047 0.1566 0.3716
Trypanosoma brucei acetyl-CoA synthetase, putative 0.0007 0.0118 0.0199
Plasmodium falciparum glutathione reductase 0.0016 0.0446 0.0802
Mycobacterium tuberculosis Probable dehydrogenase 0.0108 0.376 0.8958
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.0492 0.1151
Brugia malayi glutathione reductase 0.0047 0.1566 0.1557
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0118 0.0259
Schistosoma mansoni disulfide oxidoreductase 0.0004 0.001 0.0019
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0007 0.0118 0.1448
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0016 0.0446 0.0802
Trichomonas vaginalis antibiotic synthetase, putative 0.0007 0.0118 0.0199
Leishmania major DNA damage repair protein, putative 0.0006 0.0071 0.0112
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
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0016 0.0446 0.0802
Mycobacterium ulcerans acetyl-CoA synthetase 0.0007 0.0118 0.1448
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0556 0.0547
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0016 0.0446 0.1042
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0556 0.7303
Schistosoma mansoni ubiquitin conjugating enzyme 13 0.0154 0.5447 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0556 0.1004
Mycobacterium ulcerans peptide synthetase Nrp (peptide synthase) 0.0007 0.0118 0.1448
Echinococcus multilocularis muscleblind protein 1 0.0157 0.5557 1
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0085 0.0138
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0007 0.0108 0.0176
Loa Loa (eye worm) hypothetical protein 0.0157 0.5557 0.5553
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0108 0.376 0.8958
Trypanosoma brucei hypothetical protein, conserved 0.0006 0.0071 0.0112
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0016 0.0446 0.0802
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0556 0.1004
Schistosoma mansoni cpg binding protein 0.0028 0.088 0.1616
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0019 0.0556 0.1004
Plasmodium falciparum ubiquitin-conjugating enzyme E2 N, putative 0.0154 0.5447 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0085 0.0138
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.088 0.0871
Brugia malayi acetyl-Coenzyme A synthetase 2 0.0007 0.0118 0.0108
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.012 0.4196 1
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0016 0.0446 0.0802
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.0492 0.1151
Mycobacterium ulcerans acyl-CoA synthetase 0.0007 0.0118 0.1448
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtE 0.0007 0.0118 0.1448
Schistosoma mansoni DNA polymerase IV / kappa 0.0006 0.0071 0.013
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0154 0.5447 1
Trichomonas vaginalis DNA polymerase eta, putative 0.0019 0.0556 0.1004
Mycobacterium tuberculosis Conserved hypothetical protein 0.0019 0.0556 0.1305
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0025 0.0758 0.1786
Giardia lamblia DNA damage repair protein 0.0006 0.0071 0.1114
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0007 0.0118 0.0259
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0016 0.0446 0.5831
Plasmodium falciparum thioredoxin reductase 0.0016 0.0446 0.0802
Mycobacterium ulcerans hypothetical protein 0.0006 0.0071 0.0813
Trypanosoma brucei DNA polymerase kappa, putative 0.0006 0.0071 0.0112
Trypanosoma cruzi trypanothione reductase, putative 0.0047 0.1566 0.2861

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
Potency (functional) = 1.5849 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 1.5849 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293. (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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.