Detailed information for compound 538394

Basic information

Technical information
  • TDR Targets ID: 538394
  • Name: 1-[(2R,4S,5R)-5-(hydroxymethyl)-4-sulfanyl-te trahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-d ione
  • MW: 258.294 | Formula: C10H14N2O4S
  • H donors: 2 H acceptors: 3 LogP: -0.53 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC[C@H]1O[C@H](C[C@@H]1S)n1cc(C)c(=O)[nH]c1=O
  • InChi: 1S/C10H14N2O4S/c1-5-3-12(10(15)11-9(5)14)8-2-7(17)6(4-13)16-8/h3,6-8,13,17H,2,4H2,1H3,(H,11,14,15)/t6-,7+,8-/m1/s1
  • InChiKey: LNRCBWCMVHSMBJ-GJMOJQLCSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-[(2R,4S,5R)-5-(hydroxymethyl)-4-mercapto-2-tetrahydrofuranyl]-5-methylpyrimidine-2,4-dione
  • 1-[(2R,4S,5R)-5-(hydroxymethyl)-4-sulfanyl-oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione
  • 1-[(2R,4S,5R)-4-mercapto-5-methylol-tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-quinone
  • 1-[(2R,4S,5R)-5-(hydroxymethyl)-4-sulfanyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
  • 3'-thiothymidine
  • 126862-95-1
  • Thymidine, 3'-thio-
  • 3'-Mercapto-3'-deoxythymidine
  • 3'-Deoxy-3'-mercaptothymidine
  • 3'HS-T
  • AIDS-006852
  • AIDS006852

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
Trypanosoma brucei histone deacetylase 1 0.0064 0.0485 0.5072
Echinococcus granulosus neuropeptides capa receptor 0.0031 0.0082 0.015
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0031 0.0082 0.015
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0031 0.0082 0.015
Loa Loa (eye worm) thioredoxin reductase 0.0048 0.0293 0.0535
Echinococcus granulosus g protein coupled receptor 0.0031 0.0082 0.015
Echinococcus multilocularis fmrfamide receptor 0.0031 0.0082 0.0082
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0064 0.0485 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0082 0.015
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0031 0.0082 0.0082
Trypanosoma cruzi histone deacetylase 1, putative 0.0064 0.0485 0.5072
Echinococcus granulosus serotonin receptor 0.0031 0.0082 0.015
Brugia malayi glutathione reductase 0.0048 0.0293 0.1245
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0091 0.0827 0.1508
Echinococcus multilocularis neuropeptide receptor 0.0031 0.0082 0.0082
Trypanosoma cruzi histone deacetylase, putative 0.0102 0.0955 1
Schistosoma mansoni tar DNA-binding protein 0.0075 0.0628 0.1144
Brugia malayi RE15519p 0.0031 0.0082 0.035
Trypanosoma brucei trypanothione reductase 0.0048 0.0293 0.307
Schistosoma mansoni hypothetical protein 0.0176 0.188 0.3427
Plasmodium falciparum histone deacetylase 2 0.0102 0.0955 1
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0031 0.0082 0.015
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0031 0.0082 0.015
Brugia malayi sulfakinin receptor protein 0.0031 0.0082 0.035
Echinococcus granulosus g protein coupled receptor 0.0031 0.0082 0.015
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0031 0.0082 0.015
Loa Loa (eye worm) hypothetical protein 0.0083 0.0729 0.133
Loa Loa (eye worm) hypothetical protein 0.0031 0.0082 0.015
Loa Loa (eye worm) histone deacetylase 7A 0.0102 0.0955 0.1742
Schistosoma mansoni histamine h1 receptor 0.0031 0.0082 0.015
Schistosoma mansoni opsin-like receptor 0.0031 0.0082 0.015
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0064 0.0485 1
Schistosoma mansoni tar DNA-binding protein 0.0075 0.0628 0.1144
Loa Loa (eye worm) hypothetical protein 0.0031 0.0082 0.015
Onchocerca volvulus 0.0031 0.0082 0.0701
Brugia malayi Serotonin receptor 0.0031 0.0082 0.035
Brugia malayi hypothetical protein 0.0031 0.0082 0.035
Echinococcus multilocularis rhodopsin orphan GPCR 0.0031 0.0082 0.0082
Brugia malayi Dopamine receptor protein 1 0.0031 0.0082 0.035
Brugia malayi neuropeptide F receptor 0.0031 0.0082 0.035
Onchocerca volvulus 0.0031 0.0082 0.0701
Loa Loa (eye worm) hypothetical protein 0.0031 0.0082 0.015
Loa Loa (eye worm) hypothetical protein 0.0031 0.0082 0.015
Echinococcus granulosus rhodopsin orphan GPCR 0.0031 0.0082 0.015
Trichomonas vaginalis histone deacetylase, putative 0.0064 0.0485 1
Schistosoma mansoni hypothetical protein 0.0176 0.188 0.3427
Loa Loa (eye worm) hypothetical protein 0.0031 0.0082 0.015
Brugia malayi hypothetical protein 0.0031 0.0082 0.035
Echinococcus multilocularis fmrfamide receptor 0.0031 0.0082 0.0082
Schistosoma mansoni neuropeptide receptor 0.0031 0.0082 0.015
Loa Loa (eye worm) hypothetical protein 0.0031 0.0082 0.015
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0031 0.0082 0.015
Echinococcus granulosus biogenic amine 5HT receptor 0.0031 0.0082 0.015
Echinococcus multilocularis G-protein coupled receptor, putative 0.0031 0.0082 0.0082
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.011 0.1063 0.2205
Echinococcus granulosus G protein coupled receptor 139 0.0031 0.0082 0.015
Echinococcus multilocularis rhodopsin orphan GPCR 0.0031 0.0082 0.0082
Loa Loa (eye worm) melatonin receptor type 1A 0.0031 0.0082 0.015
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0031 0.0082 0.015
Brugia malayi hypothetical protein 0.0031 0.0082 0.035
Brugia malayi G-protein coupled receptor 0.0031 0.0082 0.035
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0075 0.0628 0.1144
Echinococcus granulosus tm gpcr rhodopsin 0.0031 0.0082 0.015
Echinococcus multilocularis histone deacetylase 0.0102 0.0955 0.0955
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0031 0.0082 0.0701
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0123 0.1216 0.2644
Loa Loa (eye worm) hypothetical protein 0.0031 0.0082 0.015
Echinococcus granulosus histone deacetylase 1 0.0064 0.0485 0.0884
Mycobacterium tuberculosis Probable reductase 0.011 0.1063 0.2205
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.0296 0.1255
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0031 0.0082 0.035
Onchocerca volvulus 0.0031 0.0082 0.0701
Plasmodium vivax histone deacetylase 1, putative 0.0064 0.0485 0.5072
Loa Loa (eye worm) neuropeptide F receptor 0.0031 0.0082 0.015
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.0466 0.5485 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0091 0.0827 0.0827
Schistosoma mansoni adenoreceptor 0.0031 0.0082 0.015
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0031 0.0074 0.0136
Echinococcus granulosus rhodopsin orphan GPCR 0.0031 0.0082 0.015
Brugia malayi RNA recognition motif domain containing protein 0.0075 0.0628 0.2665
Brugia malayi Melatonin receptor type 1A 0.0031 0.0082 0.035
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0031 0.0082 0.015
Brugia malayi hypothetical protein 0.0119 0.1176 0.4991
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0031 0.0082 0.0082
Echinococcus multilocularis rhodopsin orphan GPCR 0.0031 0.0082 0.0082
Onchocerca volvulus 0.0031 0.0082 0.0701
Loa Loa (eye worm) hypothetical protein 0.0031 0.0082 0.015
Trypanosoma brucei histone deacetylase 4 0.0102 0.0955 1
Loa Loa (eye worm) hypothetical protein 0.0083 0.0729 0.133
Echinococcus granulosus peptide allatostatin:somatostatin 0.0031 0.0082 0.015
Schistosoma mansoni biogenic amine (5HT) receptor 0.0031 0.0082 0.015
Brugia malayi hypothetical protein 0.0031 0.0082 0.035
Loa Loa (eye worm) hypothetical protein 0.0031 0.0082 0.015
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0031 0.0082 0.0082
Schistosoma mansoni histone deacetylase 4 5 0.0102 0.0955 0.1742
Echinococcus multilocularis somatostatin receptor 0.0031 0.0082 0.0082
Schistosoma mansoni hypothetical protein 0.0031 0.0082 0.015
Plasmodium falciparum histone deacetylase, putative 0.0102 0.0955 1
Echinococcus multilocularis neuropeptide s receptor 0.0031 0.0082 0.0082
Schistosoma mansoni hypothetical protein 0.0031 0.0082 0.015
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0031 0.0082 0.015
Brugia malayi G protein-coupled receptor 0.0031 0.0082 0.035
Loa Loa (eye worm) hypothetical protein 0.0048 0.0296 0.0539
Echinococcus granulosus rhodopsin orphan GPCR 0.0031 0.0082 0.015
Brugia malayi Histone deacetylase 1 0.0064 0.0485 0.2058
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0031 0.0082 0.015
Toxoplasma gondii thioredoxin reductase 0.0048 0.0293 0.307
Leishmania major histone deacetylase, putative 0.0102 0.0955 1
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0031 0.0082 0.0082
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0031 0.0082 0.015
Echinococcus granulosus rhodopsin orphan GPCR 0.0031 0.0082 0.015
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0031 0.0082 0.035
Brugia malayi hypothetical protein 0.0031 0.0082 0.035
Brugia malayi histone deacetylase 3 (HD3) 0.0064 0.0485 0.2058
Echinococcus multilocularis rhodopsin orphan GPCR 0.0031 0.0082 0.0082
Brugia malayi Tachykinin-like peptides receptor 99D 0.0031 0.0082 0.035
Schistosoma mansoni tar DNA-binding protein 0.0075 0.0628 0.1144
Loa Loa (eye worm) hypothetical protein 0.0064 0.0485 0.0884
Echinococcus granulosus neuropeptide receptor A26 0.0031 0.0082 0.015
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0091 0.0827 0.3512
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0031 0.0082 0.0082
Loa Loa (eye worm) hypothetical protein 0.0031 0.0082 0.015
Echinococcus multilocularis dro:myosuppressin receptor 0.0031 0.0082 0.0082
Echinococcus granulosus rhodopsin orphan GPCR 0.0031 0.0082 0.015
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0105 0.0444
Plasmodium falciparum glutathione reductase 0.0048 0.0293 0.307
Loa Loa (eye worm) hypothetical protein 0.0031 0.0082 0.015
Onchocerca volvulus 0.0031 0.0082 0.0701
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0031 0.0082 0.015
Echinococcus multilocularis G protein coupled receptor 139 0.0031 0.0082 0.0082
Echinococcus granulosus tm gpcr rhodopsin 0.0031 0.0082 0.015
Brugia malayi hypothetical protein 0.0031 0.0082 0.035
Plasmodium vivax thioredoxin reductase, putative 0.0048 0.0293 0.307
Loa Loa (eye worm) hypothetical protein 0.0031 0.0082 0.015
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0031 0.0082 0.015
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0091 0.0827 0.1508
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0031 0.0082 0.015
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0031 0.0082 0.0082
Brugia malayi hypothetical protein 0.0031 0.0082 0.035
Loa Loa (eye worm) hypothetical protein 0.0031 0.0082 0.015
Onchocerca volvulus 0.0031 0.0082 0.0701
Onchocerca volvulus Huntingtin homolog 0.0119 0.1176 1
Mycobacterium ulcerans epoxide hydrolase EphA 0.0329 0.3785 1
Brugia malayi Histone deacetylase family protein 0.0102 0.0955 0.4056
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0123 0.1216 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0082 0.015
Onchocerca volvulus 0.0031 0.0082 0.0701
Brugia malayi RNA binding protein 0.0075 0.0628 0.2665
Loa Loa (eye worm) G-protein coupled receptor 0.0031 0.0082 0.015
Echinococcus multilocularis neuropeptide Y receptor 0.0031 0.0082 0.0082
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0031 0.0082 0.035
Toxoplasma gondii histone deacetylase HDAC3 0.0064 0.0485 0.5072
Echinococcus granulosus histone deacetylase 6 0.0102 0.0955 0.1742
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0031 0.0082 0.015
Loa Loa (eye worm) hypothetical protein 0.0119 0.1176 0.2143
Schistosoma mansoni neuropeptide F-like receptor 0.0031 0.0082 0.015
Loa Loa (eye worm) hypothetical protein 0.0031 0.0082 0.015
Schistosoma mansoni biogenic amine receptor 0.0031 0.0082 0.015
Schistosoma mansoni histone deacetylase 4 5 0.0102 0.0955 0.1742
Echinococcus multilocularis allatostatin A receptor 0.0031 0.0082 0.0082
Leishmania major histone deacetylase, putative 0.0102 0.0955 1
Schistosoma mansoni amine GPCR 0.0031 0.0082 0.015
Echinococcus granulosus orexin receptor type 2 0.0031 0.0082 0.015
Leishmania major histone deacetylase, putative 0.0064 0.0485 0.5072
Brugia malayi AKH receptor 0.0031 0.0082 0.035
Loa Loa (eye worm) hypothetical protein 0.0031 0.0082 0.015
Loa Loa (eye worm) hypothetical protein 0.0031 0.0082 0.015
Echinococcus granulosus neuropeptide Y receptor 0.0031 0.0082 0.015
Echinococcus multilocularis rhodopsin orphan GPCR 0.0031 0.0082 0.0082
Toxoplasma gondii histone deacetylase HDAC2 0.0064 0.0485 0.5072
Echinococcus granulosus neuropeptides capa receptor 0.0031 0.0082 0.015
Onchocerca volvulus 0.0031 0.0082 0.0701
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.011 0.1063 0.2205
Loa Loa (eye worm) histone deacetylase 0.0102 0.0955 0.1742
Onchocerca volvulus 0.0031 0.0082 0.0701
Onchocerca volvulus 0.0031 0.0082 0.0701
Echinococcus granulosus tm gpcr rhodopsin 0.0031 0.0082 0.015
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0031 0.0082 0.015
Schistosoma mansoni myosin xvIII 0.0031 0.0082 0.015
Loa Loa (eye worm) hypothetical protein 0.0031 0.0082 0.015
Loa Loa (eye worm) hypothetical protein 0.0031 0.0082 0.015
Schistosoma mansoni neuropeptide receptor 0.0031 0.0082 0.015
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0031 0.0082 0.015
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0031 0.0082 0.015
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.0827 0.1508
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0031 0.0082 0.015
Echinococcus granulosus fmrfamide receptor 0.0031 0.0082 0.015
Schistosoma mansoni amine GPCR 0.0031 0.0082 0.015
Loa Loa (eye worm) hypothetical protein 0.0031 0.0082 0.015
Loa Loa (eye worm) RNA binding protein 0.0075 0.0628 0.1144
Loa Loa (eye worm) hypothetical protein 0.0031 0.0082 0.015
Echinococcus granulosus tachykinin peptides receptor 99D 0.0031 0.0082 0.015
Echinococcus multilocularis neuropeptide FF receptor 2 0.0031 0.0082 0.0082
Onchocerca volvulus 0.0031 0.0082 0.0701
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0031 0.0082 0.015
Echinococcus granulosus allatostatin A receptor 0.0031 0.0082 0.015
Trichomonas vaginalis histone deacetylase, putative 0.0064 0.0485 1
Plasmodium falciparum histone deacetylase 1 0.0064 0.0485 0.5072
Loa Loa (eye worm) hypothetical protein 0.0031 0.0082 0.015
Plasmodium vivax histone deacetylase, putative 0.0102 0.0955 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0082 0.015
Brugia malayi histone deacetylase 1 (HD1) 0.0064 0.0485 0.2058
Brugia malayi ORL1-like opioid receptor 0.0031 0.0082 0.035
Schistosoma mansoni amine GPCR 0.0031 0.0082 0.015
Loa Loa (eye worm) hypothetical protein 0.0031 0.0082 0.015
Echinococcus multilocularis histone deacetylase 6 0.0102 0.0955 0.0955
Schistosoma mansoni hypothetical protein 0.0031 0.0082 0.015
Echinococcus multilocularis g protein coupled receptor 0.0031 0.0082 0.0082
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0031 0.0082 0.015
Echinococcus granulosus histone deacetylase 3 0.0064 0.0485 0.0884
Brugia malayi GnHR receptor homolog 0.0031 0.0082 0.035
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0031 0.0082 0.0082
Echinococcus granulosus leukotriene A 4 hydrolase 0.0466 0.5485 1
Echinococcus granulosus 7tm_1 domain containing protein 0.0031 0.0082 0.015
Echinococcus granulosus histone deacetylase 7 0.0102 0.0955 0.1742
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0091 0.0827 0.1508
Trichomonas vaginalis histone deacetylase, putative 0.0064 0.0485 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0031 0.0082 0.015
Schistosoma mansoni opsin-like receptor 0.0031 0.0082 0.015
Leishmania major histone deacetylase, putative 0.0064 0.0485 0.5072
Schistosoma mansoni neuropeptide F-like receptor 0.0031 0.0082 0.015
Echinococcus granulosus hypothetical protein 0.0031 0.0082 0.015
Trypanosoma brucei histone deacetylase 3 0.0102 0.0955 1
Brugia malayi G protein-coupled receptor F59B2.13 0.0031 0.0082 0.035
Trypanosoma cruzi trypanothione reductase, putative 0.0048 0.0293 0.307
Echinococcus granulosus g protein coupled receptor 0.0031 0.0082 0.015
Echinococcus multilocularis histone deacetylase 6 0.0102 0.0955 0.0955
Echinococcus granulosus neuropeptide receptor 0.0031 0.0082 0.015
Schistosoma mansoni amine GPCR 0.0031 0.0082 0.015
Echinococcus multilocularis g protein coupled receptor 0.0031 0.0082 0.0082
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0031 0.0082 0.015
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0031 0.0082 0.015
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.0296 0.0539
Echinococcus granulosus histone deacetylase 6 0.0102 0.0955 0.1742
Echinococcus granulosus g-protein coupled receptor 0.0031 0.0082 0.015
Echinococcus multilocularis rhodopsin orphan GPCR 0.0031 0.0082 0.0082
Trypanosoma cruzi histone deacetylase, putative 0.0102 0.0955 1
Schistosoma mansoni neuropeptide receptor 0.0031 0.0082 0.015
Mycobacterium tuberculosis Putative ferredoxin reductase 0.011 0.1063 0.2205
Echinococcus granulosus alpha 1A adrenergic receptor 0.0031 0.0082 0.015
Loa Loa (eye worm) hypothetical protein 0.0031 0.0082 0.015
Loa Loa (eye worm) hypothetical protein 0.0031 0.0082 0.015
Echinococcus multilocularis tar DNA binding protein 0.0075 0.0628 0.0628
Echinococcus multilocularis geminin 0.0176 0.188 0.188
Echinococcus multilocularis rhodopsin orphan GPCR 0.0031 0.0082 0.0082
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0031 0.0082 0.0082
Echinococcus granulosus 7TM GPCR rhodopsin 0.0031 0.0082 0.015
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.0827 0.1508
Loa Loa (eye worm) hypothetical protein 0.0031 0.0082 0.015
Echinococcus granulosus biogenic amine 5HT receptor 0.0031 0.0082 0.015
Schistosoma mansoni alpha-1 adrenergic receptor 0.0031 0.0082 0.015
Echinococcus multilocularis histone deacetylase 1 0.0064 0.0485 0.0485
Loa Loa (eye worm) hypothetical protein 0.0031 0.0082 0.015
Brugia malayi hypothetical protein 0.0031 0.0082 0.035
Brugia malayi Histone deacetylase family protein 0.0102 0.0955 0.4056
Loa Loa (eye worm) G-protein coupled receptor 0.0031 0.0082 0.015
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0031 0.0082 0.0082
Echinococcus granulosus neuropeptide Y receptor 0.0031 0.0082 0.015
Echinococcus granulosus neuropeptide receptor 0.0031 0.0082 0.015
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.011 0.1063 0.2205
Brugia malayi hypothetical protein 0.0214 0.2355 1
Trypanosoma cruzi histone deacetylase, putative 0.0102 0.0955 1
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0031 0.0082 0.015
Echinococcus multilocularis histone deacetylase 3 0.0064 0.0485 0.0485
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0031 0.0082 0.015
Schistosoma mansoni neuropeptide receptor 0.0031 0.0082 0.015
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0031 0.0082 0.0082
Loa Loa (eye worm) hypothetical protein 0.0031 0.0082 0.015
Loa Loa (eye worm) hypothetical protein 0.0031 0.0082 0.015
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0123 0.1216 0.2644
Loa Loa (eye worm) histone deacetylase 1 0.0064 0.0485 0.0884
Echinococcus multilocularis sex peptide receptor 0.0031 0.0082 0.0082
Echinococcus granulosus sex peptide receptor 0.0031 0.0082 0.015
Echinococcus multilocularis neuropeptides capa receptor 0.0031 0.0082 0.0082
Loa Loa (eye worm) neuropeptide F receptor 0.0031 0.0082 0.015
Schistosoma mansoni opsin-like receptor 0.0031 0.0082 0.015
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0031 0.0082 0.035
Loa Loa (eye worm) hypothetical protein 0.0031 0.0082 0.015
Echinococcus multilocularis g protein coupled receptor 0.0031 0.0082 0.0082
Echinococcus multilocularis serotonin receptor 0.0031 0.0082 0.0082
Onchocerca volvulus 0.0031 0.0082 0.0701
Loa Loa (eye worm) hypothetical protein 0.0119 0.1176 0.2143
Brugia malayi G-protein coupled receptor 0.0031 0.0082 0.035
Schistosoma mansoni hypothetical protein 0.0033 0.0105 0.0191
Echinococcus multilocularis histone deacetylase 7 0.0102 0.0955 0.0955
Brugia malayi Thioredoxin reductase 0.0048 0.0293 0.1245
Entamoeba histolytica histone deacetylase, putative 0.0064 0.0485 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0082 0.015
Loa Loa (eye worm) hypothetical protein 0.0031 0.0082 0.015
Onchocerca volvulus Huntingtin homolog 0.0119 0.1176 1
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0031 0.0082 0.015
Echinococcus multilocularis neuropeptide receptor 0.0031 0.0082 0.0082
Echinococcus granulosus neuropeptide FF receptor 2 0.0031 0.0082 0.015
Plasmodium vivax glutathione reductase, putative 0.0048 0.0293 0.307
Loa Loa (eye worm) leukotriene A4 hydrolase 0.0466 0.5485 1
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0031 0.0082 0.015
Onchocerca volvulus 0.0031 0.0082 0.0701
Brugia malayi hypothetical protein 0.0031 0.0082 0.035
Schistosoma mansoni neuropeptide f receptor 76f 0.0031 0.0082 0.015
Loa Loa (eye worm) hypothetical protein 0.0031 0.0082 0.015
Brugia malayi neuropeptide F receptor 0.0031 0.0082 0.035
Loa Loa (eye worm) hypothetical protein 0.0033 0.0105 0.0191
Trypanosoma cruzi histone deacetylase 1, putative 0.0064 0.0485 0.5072
Brugia malayi hypothetical protein 0.0031 0.0082 0.035
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0031 0.0082 0.0082
Toxoplasma gondii histone deacetylase HDAC1 0.0102 0.0955 1
Echinococcus multilocularis neuropeptide receptor A26 0.0031 0.0082 0.0082
Echinococcus multilocularis thioredoxin glutathione reductase 0.0048 0.0293 0.0293
Echinococcus multilocularis g-protein coupled receptor 0.0031 0.0082 0.0082
Schistosoma mansoni growth hormone secretagogue receptor 0.0031 0.0082 0.015
Echinococcus granulosus histone deacetylase 6 0.0102 0.0955 0.1742
Echinococcus granulosus rhodopsin orphan GPCR 0.0031 0.0082 0.015
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0031 0.0082 0.0082
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0031 0.0082 0.015
Schistosoma mansoni amine GPCR 0.0031 0.0082 0.015
Brugia malayi Dopamine receptor 0.0031 0.0082 0.035
Echinococcus granulosus neuropeptide s receptor 0.0031 0.0082 0.015
Schistosoma mansoni tar DNA-binding protein 0.0075 0.0628 0.1144
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0031 0.0082 0.035
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0091 0.0827 0.0827
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0031 0.0082 0.015
Loa Loa (eye worm) hypothetical protein 0.0031 0.0082 0.015
Loa Loa (eye worm) hypothetical protein 0.0031 0.0082 0.015
Brugia malayi putative neuropeptide receptor NPR1 0.0031 0.0082 0.035
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0031 0.0082 0.015
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0064 0.0485 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0048 0.0293 0.0535
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.0296 0.1255
Loa Loa (eye worm) hypothetical protein 0.0031 0.0082 0.015
Plasmodium vivax histone deacetylase 2, putative 0.0102 0.0955 1
Brugia malayi Serotonin receptor 0.0031 0.0082 0.035
Schistosoma mansoni histone deacetylase 0.0064 0.0485 0.0884
Schistosoma mansoni biogenic amine receptor 0.0031 0.0082 0.015
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.0827 0.1508
Loa Loa (eye worm) histone deacetylase 3 0.0064 0.0485 0.0884
Plasmodium falciparum thioredoxin reductase 0.0048 0.0293 0.307
Schistosoma mansoni biogenic amine receptor 0.0031 0.0082 0.015
Schistosoma mansoni hypothetical protein 0.0031 0.0082 0.015
Loa Loa (eye worm) hypothetical protein 0.0031 0.0082 0.015
Schistosoma mansoni tar DNA-binding protein 0.0075 0.0628 0.1144
Echinococcus granulosus dro:myosuppressin receptor 0.0031 0.0082 0.015
Giardia lamblia Histone deacetylase 0.0064 0.0485 0.5
Echinococcus multilocularis neuropeptides capa receptor 0.0031 0.0082 0.0082
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0031 0.0082 0.0082
Schistosoma mansoni histone deacetylase hda2 0.0102 0.0955 0.1742
Echinococcus multilocularis histone deacetylase 6 0.0102 0.0955 0.0955
Leishmania major trypanothione reductase 0.0048 0.0293 0.307
Echinococcus granulosus somatostatin receptor 0.0031 0.0082 0.015
Loa Loa (eye worm) glutathione reductase 0.0048 0.0293 0.0535
Echinococcus multilocularis leukotriene A 4 hydrolase 0.0466 0.5485 0.5485
Onchocerca volvulus Neuropeptide F receptor homolog 0.0031 0.0082 0.0701
Echinococcus multilocularis rhodopsin orphan GPCR 0.0031 0.0082 0.0082
Loa Loa (eye worm) TAR-binding protein 0.0075 0.0628 0.1144
Schistosoma mansoni biogenic amine (5HT) receptor 0.0031 0.0082 0.015
Loa Loa (eye worm) hypothetical protein 0.0031 0.0082 0.015
Schistosoma mansoni histone deacetylase 0.0064 0.0485 0.0884
Echinococcus multilocularis neuropeptide Y receptor 0.0031 0.0082 0.0082
Echinococcus multilocularis orexin receptor type 2 0.0031 0.0082 0.0082
Brugia malayi putative neuropeptide receptor 0.0031 0.0082 0.035
Loa Loa (eye worm) hypothetical protein 0.0031 0.0082 0.015
Echinococcus multilocularis serotonin receptor 0.0031 0.0082 0.0082
Echinococcus granulosus histone deacetylase 0.0102 0.0955 0.1742
Onchocerca volvulus 0.0031 0.0082 0.0701
Echinococcus granulosus tar DNA binding protein 0.0075 0.0628 0.1144
Loa Loa (eye worm) hypothetical protein 0.0031 0.0082 0.015
Mycobacterium tuberculosis Probable epoxide hydrolase EphA (epoxide hydratase) (arene-oxide hydratase) 0.0329 0.3785 1
Onchocerca volvulus 0.0031 0.0082 0.0701
Loa Loa (eye worm) hypothetical protein 0.0031 0.0082 0.015
Onchocerca volvulus 0.0031 0.0082 0.0701
Brugia malayi Dopamine receptor protein 2 0.0031 0.0082 0.035
Brugia malayi larval opioid receptor 0.0031 0.0082 0.035
Mycobacterium tuberculosis Probable oxidoreductase 0.0123 0.1216 0.2644
Trypanosoma brucei histone deacetylase, putative 0.0102 0.0955 1
Echinococcus granulosus geminin 0.0176 0.188 0.3427
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0031 0.0082 0.015
Onchocerca volvulus 0.0031 0.0082 0.0701
Brugia malayi TAR-binding protein 0.0075 0.0628 0.2665
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0031 0.0082 0.0082
Mycobacterium tuberculosis Probable dehydrogenase 0.011 0.1063 0.2205
Loa Loa (eye worm) TYRA-2 protein 0.0031 0.0082 0.015
Loa Loa (eye worm) hypothetical protein 0.0031 0.0082 0.015
Loa Loa (eye worm) hypothetical protein 0.0031 0.0082 0.015
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0031 0.0082 0.015
Brugia malayi follicle stimulating hormone receptor 0.0031 0.0082 0.035
Echinococcus granulosus rhodopsin orphan GPCR 0.0031 0.0082 0.015
Trichomonas vaginalis histone deacetylase, putative 0.0064 0.0485 1
Trichomonas vaginalis histone deacetylase, putative 0.0064 0.0485 1
Trichomonas vaginalis histone deacetylase, putative 0.0064 0.0485 1

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) = 0 % Activity of Escherichia coli thymidine phosphorylase assessed as drug phosphorylation after 2 hrs ChEMBL. 18272369
Activity (binding) = 0 % Activity of Escherichia coli thymidine phosphorylase assessed as drug phosphorylation after 1 hr ChEMBL. 18272369
IC50 (functional) > 770 uM Antiproliferative activity was determined against human T-lymphocyte cells-CEM ChEMBL. 12801219
IC50 (functional) > 770 uM Antiproliferative activity was determined against human T-lymphocyte cells -Molt4/C8 ChEMBL. 12801219
IC50 (functional) > 770 uM Antiproliferative activity was determined against murine leukemia cells (L1210) ChEMBL. 12801219
IC50 (functional) > 770 uM Antiproliferative activity was determined against murine mammary carcinoma cells (FM3A) ChEMBL. 12801219

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

1 literature reference was collected for this gene.

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