Detailed information for compound 1388073

Basic information

Technical information
  • TDR Targets ID: 1388073
  • Name: 3-(phenylmethyl)-1-(1,2,3,4-tetrahydronaphtha len-1-yl)thiourea
  • MW: 296.43 | Formula: C18H20N2S
  • H donors: 2 H acceptors: 0 LogP: 3.74 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: S=C(NC1CCCc2c1cccc2)NCc1ccccc1
  • InChi: 1S/C18H20N2S/c21-18(19-13-14-7-2-1-3-8-14)20-17-12-6-10-15-9-4-5-11-16(15)17/h1-5,7-9,11,17H,6,10,12-13H2,(H2,19,20,21)
  • InChiKey: QMPKYZMMCRCHNT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-(phenylmethyl)-1-tetralin-1-yl-thiourea
  • 3-(phenylmethyl)-1-(1-tetralinyl)thiourea
  • 3-(benzyl)-1-tetralin-1-yl-thiourea
  • MLS001018376
  • SMR000354669
  • Oprea1_323545
  • T0512-7086

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens Rap guanine nucleotide exchange factor (GEF) 3 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans 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 mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Toxoplasma gondii 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) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131726 All targets in OG5_131726
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
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
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi N-terminal motif family protein Get druggable targets OG5_131726 All targets in OG5_131726
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial 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
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
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
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog Get druggable targets OG5_131726 All targets in OG5_131726
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0272 0.0822
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0272 0.0272
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0272 0.0822
Schistosoma mansoni dishevelled 0.0011 0.0202 0.0611
Echinococcus granulosus smad 0.001 0.016 0.0482
Schistosoma mansoni hypothetical protein 0.0041 0.164 0.4954
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0.0057 0.5
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0272 0.0822
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0.0057 0.5
Loa Loa (eye worm) TAR-binding protein 0.0076 0.3311 0.3311
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0.0057 0.5
Schistosoma mansoni guanine-nucleotide-exchange-factor 0.0008 0.0057 0.0172
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0011 0.0202 0.0202
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0.0057 0.5
Echinococcus granulosus regulator of G protein signaling 7 0.0011 0.0202 0.0611
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 0.0272 0.0217
Echinococcus granulosus TGF beta signal transducer SmadC 0.001 0.016 0.0482
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0272 0.0822
Loa Loa (eye worm) hypothetical protein 0.0012 0.0272 0.0272
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0272 0.0822
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0272 0.0822
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3311 1
Brugia malayi N-terminal motif family protein 0.0008 0.0057 0.0057
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0218 1 1
Echinococcus multilocularis rap guanine nucleotide exchange factor 6 0.0008 0.0057 0.0172
Brugia malayi hypothetical protein 0.0011 0.0202 0.0202
Trypanosoma cruzi hypothetical protein 0.0008 0.0057 0.5
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0272 0.0822
Echinococcus granulosus segment polarity protein dishevelled 0.0011 0.0202 0.0611
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.3161 0.9547
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0596 0.0596
Brugia malayi MH2 domain containing protein 0.001 0.016 0.016
Loa Loa (eye worm) hypothetical protein 0.0012 0.0272 0.0272
Onchocerca volvulus Bile acid receptor homolog 0.0012 0.0272 0.0217
Brugia malayi RNA binding protein 0.0076 0.3311 0.3311
Brugia malayi Smad1 0.001 0.016 0.016
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.3311 0.3311
Echinococcus multilocularis Smad4 0.001 0.016 0.0482
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0008 0.0057 0.0172
Schistosoma mansoni Smad4 0.001 0.016 0.0482
Echinococcus granulosus rap guanine nucleotide exchange factor 1 0.0008 0.0057 0.0172
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.3161 0.5
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0272 0.0822
Schistosoma mansoni fyve finger-containing phosphoinositide kinase fyv1 0.0011 0.0202 0.0611
Schistosoma mansoni regulator of G protein signaling 0.0011 0.0202 0.0611
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0272 0.0272
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.3161 0.9547
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0272 0.0822
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0272 0.0822
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0272 0.0272
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0.0057 0.5
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0272 0.0272
Schistosoma mansoni hypothetical protein 0.0019 0.0596 0.1799
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0272 0.0822
Loa Loa (eye worm) RNA binding protein 0.0076 0.3311 0.3311
Loa Loa (eye worm) hypothetical protein 0.0019 0.0596 0.0596
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0272 0.0822
Echinococcus granulosus mothers against decapentaplegic 5 0.001 0.016 0.0482
Brugia malayi nuclear hormone receptor 0.0012 0.0272 0.0272
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0272 0.0272
Echinococcus multilocularis Pleckstrin G protein, interacting region 0.0011 0.0202 0.0611
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.3161 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3311 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.3161 0.5
Brugia malayi MH2 domain containing protein 0.001 0.016 0.016
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.3161 1
Loa Loa (eye worm) RasGEF domain-containing protein 0.0008 0.0057 0.0057
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.651 0.651
Echinococcus multilocularis segment polarity protein dishevelled 0.0011 0.0202 0.0611
Loa Loa (eye worm) hypothetical protein 0.0011 0.0202 0.0202
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0272 0.0822
Echinococcus multilocularis GPCR, family 2 0.0019 0.0596 0.1799
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0008 0.0057 0.0172
Echinococcus granulosus Pleckstrin G protein interacting region 0.0011 0.0202 0.0611
Schistosoma mansoni smad1 5 8 and 0.001 0.016 0.0482
Loa Loa (eye worm) hypothetical protein 0.0008 0.0057 0.0057
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0272 0.0272
Echinococcus granulosus rap guanine nucleotide exchange factor 6 0.0008 0.0057 0.0172
Brugia malayi steroid hormone receptor 0.0012 0.0272 0.0272
Echinococcus multilocularis son of sevenless 1 0.0008 0.0057 0.0172
Loa Loa (eye worm) hypothetical protein 0.0012 0.0272 0.0272
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0272 0.0822
Echinococcus granulosus GPCR family 2 0.0019 0.0596 0.1799
Trypanosoma cruzi guanine nucleotide releasing protein, putative 0.0008 0.0057 0.5
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0.0057 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3311 1
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0.0057 0.5
Brugia malayi N-terminal motif family protein 0.0008 0.0057 0.0057
Echinococcus multilocularis tar DNA binding protein 0.0076 0.3311 1
Loa Loa (eye worm) MH2 domain-containing protein 0.001 0.016 0.016
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0272 0.0272
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0272 0.0822
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0272 0.0822
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0.0057 0.5
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0272 0.0822
Trichomonas vaginalis ras GTP exchange factor, putative 0.0008 0.0057 0.5
Loa Loa (eye worm) DIX domain-containing protein 0.0011 0.0202 0.0202
Schistosoma mansoni smad1 5 8 and 0.001 0.016 0.0482
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.2541 0.2541
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0.0057 0.5
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.3161 0.9547
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0272 0.0272
Schistosoma mansoni hypothetical protein 0.0019 0.0596 0.1799
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.651 0.651
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0596 0.1799
Echinococcus granulosus tar DNA binding protein 0.0076 0.3311 1
Echinococcus granulosus Smad4 0.001 0.016 0.0482
Echinococcus multilocularis rap guanine nucleotide exchange factor 1 0.0008 0.0057 0.0172
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0272 0.0272
Onchocerca volvulus 0.0012 0.0272 0.0217
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0272 0.0822
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0272 0.0272
Echinococcus granulosus Protein son of sevenless 0.0008 0.0057 0.0172
Echinococcus multilocularis segment polarity protein dishevelled 0.0011 0.0202 0.0611
Echinococcus multilocularis Protein son of sevenless 0.0008 0.0057 0.0172
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0596 0.0596
Brugia malayi MH1 domain containing protein 0.001 0.016 0.016
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0008 0.0057 0.0172
Echinococcus multilocularis TGF beta signal transducer SmadC 0.001 0.016 0.0482
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0011 0.0202 0.0202
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.2541 0.2541
Schistosoma mansoni coup transcription factor 0.0012 0.0272 0.0822
Brugia malayi MH2 domain containing protein 0.0144 0.651 0.651
Onchocerca volvulus 0.0011 0.0202 0.0146
Echinococcus multilocularis mothers against decapentaplegic 5 0.001 0.016 0.0482
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0272 0.0272
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0596 0.1799
Brugia malayi RasGEF domain containing protein 0.0008 0.0057 0.0057
Loa Loa (eye worm) MH1 domain-containing protein 0.001 0.016 0.016
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.2541 0.2541
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0596 0.1799
Echinococcus multilocularis regulator of G protein signaling 7 0.0011 0.0202 0.0611
Loa Loa (eye worm) RasGEF domain-containing protein 0.0008 0.0057 0.0057
Echinococcus multilocularis smad 0.001 0.016 0.0482
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0272 0.0272
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.3311 0.3311
Loa Loa (eye worm) hypothetical protein 0.0012 0.0272 0.0272
Echinococcus granulosus son of sevenless 1 0.0008 0.0057 0.0172
Echinococcus granulosus ras GTP exchange factor 0.0008 0.0057 0.0172
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0272 0.0272
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0272 0.0822
Brugia malayi nuclear receptor NHR-88 0.0012 0.0272 0.0272
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0272 0.0822
Loa Loa (eye worm) hypothetical protein 0.0012 0.0272 0.0272
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0272 0.0822
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0272 0.0272
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0011 0.0202 0.0202
Schistosoma mansoni camp-dependent rap1 guanine-nucleotide exchange factor 0.0007 0.0039 0.0118
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0272 0.0822
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0272 0.0822
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 0.0272 0.0217
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0272 0.0822
Loa Loa (eye worm) RasGEF domain-containing protein 0.0008 0.0057 0.0057
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0272 0.0272
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0596 0.1799
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0272 0.0272
Echinococcus multilocularis ras GTP exchange factor 0.0008 0.0057 0.0172
Loa Loa (eye worm) hypothetical protein 0.0011 0.0202 0.0202
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0272 0.0272
Brugia malayi RasGEF domain containing protein 0.0008 0.0057 0.0057
Schistosoma mansoni ras GTP exchange factor 0.0008 0.0057 0.0172
Loa Loa (eye worm) hypothetical protein 0.0012 0.0272 0.0272
Schistosoma mansoni dep domain containing protein 0.0011 0.0202 0.0611
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.164 0.164
Echinococcus granulosus segment polarity protein dishevelled 0.0011 0.0202 0.0611
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0272 0.0272
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.3161 0.9547
Echinococcus granulosus regulator of G protein signaling 7 0.0011 0.0202 0.0611
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0272 0.0822
Brugia malayi TAR-binding protein 0.0076 0.3311 0.3311
Schistosoma mansoni smad 0.001 0.016 0.0482
Loa Loa (eye worm) hypothetical protein 0.0011 0.0202 0.0202
Trichomonas vaginalis ras GTP exchange factor, putative 0.0008 0.0057 0.5
Brugia malayi hypothetical protein 0.0011 0.0202 0.0202
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0.0057 0.5
Brugia malayi DIX domain containing protein 0.0011 0.0202 0.0202
Schistosoma mansoni hypothetical protein 0.0019 0.0596 0.1799
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0272 0.0272
Entamoeba histolytica hypothetical protein 0.0008 0.0057 0.5
Trichomonas vaginalis ras GTP exchange factor, son of sevenless, putative 0.0008 0.0057 0.5
Brugia malayi RasGEF domain containing protein 0.0008 0.0057 0.0057
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0272 0.0822
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3311 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.3161 0.5
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0272 0.0822
Schistosoma mansoni z-protein (S1r protein) 0.0011 0.0202 0.0611
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0272 0.0272
Onchocerca volvulus Segment polarity protein dishevelled homolog 0.0011 0.0202 0.0146
Brugia malayi regulator of G-protein signaling egl-10 0.0011 0.0202 0.0202
Loa Loa (eye worm) hypothetical protein 0.006 0.2541 0.2541
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0272 0.0822
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0.0057 0.5
Trichomonas vaginalis guanine nucleotide exchange factor, putative 0.0008 0.0057 0.5
Brugia malayi MH1 domain containing protein 0.001 0.016 0.016
Trypanosoma cruzi hypothetical protein 0.0008 0.0057 0.5
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0.0057 0.5
Schistosoma mansoni smad1 5 8 and 0.001 0.016 0.0482
Loa Loa (eye worm) Smad1 0.001 0.016 0.016
Loa Loa (eye worm) hypothetical protein 0.0012 0.0272 0.0272
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0272 0.0272
Echinococcus multilocularis regulator of G protein signaling 7 0.0011 0.0202 0.0611
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0.0057 0.5
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0596 0.0596
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0272 0.0272
Loa Loa (eye worm) hypothetical protein 0.0041 0.164 0.164
Schistosoma mansoni dishevelled 0.0011 0.0202 0.0611
Loa Loa (eye worm) hypothetical protein 0.0012 0.0272 0.0272
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0272 0.0822
Schistosoma mansoni TGF-beta signal transducer Smad2 0.001 0.016 0.0482
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0272 0.0272
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0272 0.0272
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0272 0.0822
Loa Loa (eye worm) hypothetical protein 0.0218 1 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3311 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.3161 0.5
Brugia malayi ecdysteroid receptor 0.0012 0.0272 0.0272
Schistosoma mansoni hypothetical protein 0.0019 0.0596 0.1799
Loa Loa (eye worm) hypothetical protein 0.0008 0.0057 0.0057

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.8913 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) = 2.5119 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.5481 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 14.1254 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) 14.1254 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 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) 21.1923 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.081 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 70.7946 uM PUBCHEM_BIOASSAY: Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504856] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
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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