Detailed information for compound 1355349

Basic information

Technical information
  • TDR Targets ID: 1355349
  • Name: 3-(2-chloro-4-methylphenyl)-1-(3-methoxypropy l)-1-(1-pyridin-4-ylethyl)thiourea
  • MW: 377.931 | Formula: C19H24ClN3OS
  • H donors: 0 H acceptors: 1 LogP: 4.17 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCCCN(C(c1ccncc1)C)C(=Nc1ccc(cc1Cl)C)S
  • InChi: 1S/C19H24ClN3OS/c1-14-5-6-18(17(20)13-14)22-19(25)23(11-4-12-24-3)15(2)16-7-9-21-10-8-16/h5-10,13,15H,4,11-12H2,1-3H3,(H,22,25)
  • InChiKey: UVPYWKIBMONLTC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-(2-chloro-4-methyl-phenyl)-1-(3-methoxypropyl)-1-[1-(4-pyridyl)ethyl]thiourea
  • 3-(2-chloro-4-methylphenyl)-1-(3-methoxypropyl)-1-[1-(4-pyridyl)ethyl]thiourea
  • 3-(2-chloro-4-methyl-phenyl)-1-(3-methoxypropyl)-1-(1-pyridin-4-ylethyl)thiourea
  • MLS000584522
  • N'-(2-chloro-4-methylphenyl)-N-(3-methoxypropyl)-N-(1-pyridin-4-ylethyl)thiourea
  • SMR000207108

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens flap structure-specific endonuclease 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium berghei flap endonuclease 1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Theileria parva flap endonuclease 1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Cryptosporidium hominis flap endonuclease 1 Get druggable targets OG5_127472 All targets in OG5_127472
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Trichomonas vaginalis flap endonuclease-1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Leishmania major flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Toxoplasma gondii flap structure-specific endonuclease 1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Leishmania mexicana flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Giardia lamblia Flap structure-specific endonuclease Get druggable targets OG5_127472 All targets in OG5_127472
Trypanosoma congolense flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Babesia bovis XPG N-terminal domain and XPG I-region domain containing protein Get druggable targets OG5_127472 All targets in OG5_127472
Plasmodium vivax flap endonuclease 1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Cryptosporidium parvum flap endonuclease 1 Get druggable targets OG5_127472 All targets in OG5_127472
Plasmodium knowlesi flap endonuclease 1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Echinococcus granulosus flap endonuclease 1 Get druggable targets OG5_127472 All targets in OG5_127472
Echinococcus multilocularis flap endonuclease 1 Get druggable targets OG5_127472 All targets in OG5_127472
Plasmodium yoelii flap endonuclease-1-related Get druggable targets OG5_127472 All targets in OG5_127472
Plasmodium falciparum flap endonuclease 1 Get druggable targets OG5_127472 All targets in OG5_127472
Leishmania donovani flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Loa Loa (eye worm) flap endonuclease-1 Get druggable targets OG5_127472 All targets in OG5_127472
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Schistosoma japonicum ko:K04799 flap endonuclease-1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Schistosoma mansoni flap endonuclease-1 Get druggable targets OG5_127472 All targets in OG5_127472
Entamoeba histolytica Flap nuclease, putative Get druggable targets OG5_127472 All targets in OG5_127472
Neospora caninum flap endonuclease-1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Leishmania braziliensis flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Brugia malayi Flap endonuclease-1 Get druggable targets OG5_127472 All targets in OG5_127472
Leishmania infantum flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Trypanosoma brucei gambiense flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei exonuclease, putative flap structure-specific endonuclease 1 380 aa 322 aa 24.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.013 0.1182 0.1694
Plasmodium vivax multidomain scavenger receptor, putative 0.0103 0.0862 1
Echinococcus multilocularis Polycystic kidney disease protein 0.0103 0.0862 0.1259
Schistosoma mansoni ankyrin 23/unc44 0.0047 0.0206 0.0301
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0035 0.007 0.0102
Trichomonas vaginalis flap endonuclease-1, putative 0.0031 0.0028 0.5
Loa Loa (eye worm) hypothetical protein 0.0061 0.0378 0.0542
Echinococcus multilocularis ecdysone induced protein 78C 0.013 0.1182 0.1726
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.013 0.1182 0.1694
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.013 0.1182 0.1694
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.049 1
Brugia malayi MH2 domain containing protein 0.0118 0.1035 0.1483
Brugia malayi hypothetical protein 0.0103 0.0862 0.1236
Brugia malayi hypothetical protein 0.0347 0.3711 0.5318
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0035 0.007 0.0102
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0061 0.0378 0.0552
Brugia malayi nuclear hormone receptor 0.0061 0.0378 0.0542
Brugia malayi Nuclear hormone receptor E75 0.0061 0.0378 0.0542
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.049 1
Brugia malayi Nuclear hormone receptor-like 1 0.0069 0.0464 0.0665
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.013 0.1182 0.1694
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0303 0.3205 0.4593
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0615 0.685 1
Schistosoma mansoni hypothetical protein 0.0076 0.0545 0.0796
Brugia malayi steroid hormone receptor 0.013 0.1182 0.1694
Echinococcus granulosus single minded 2 0.0076 0.0554 0.0808
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0069 0.0464 0.0678
Giardia lamblia Flap structure-specific endonuclease 0.0031 0.0028 0.5
Brugia malayi ecdysone receptor 0.0061 0.0378 0.0542
Brugia malayi Flap endonuclease-1 0.0031 0.0028 0.004
Echinococcus granulosus FTZ F1 alpha 0.013 0.1182 0.1726
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0168 0.0245
Brugia malayi nuclear hormone receptor family member odr-7 0.0061 0.0378 0.0542
Schistosoma mansoni tar DNA-binding protein 0.0133 0.1211 0.1768
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0255 0.0372
Loa Loa (eye worm) hypothetical protein 0.0103 0.0862 0.1236
Schistosoma mansoni hypothetical protein 0.0035 0.007 0.0102
Trypanosoma cruzi major cysteine proteinase, putative 0.0056 0.0312 0.6375
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.049 1
Loa Loa (eye worm) nuclear receptor NHR-67 0.0061 0.0378 0.0542
Schistosoma mansoni polycystin 1-related 0.0103 0.0862 0.1259
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0239 0.2457 0.3586
Brugia malayi Nuclear hormone receptor family member nhr-25 0.013 0.1182 0.1694
Brugia malayi Nuclear hormone receptor-like 1 0.0069 0.0464 0.0665
Echinococcus granulosus death domain containing protein 0.0047 0.0206 0.0301
Schistosoma mansoni nuclear receptor 0.0061 0.0378 0.0552
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.013 0.1182 0.1694
Mycobacterium ulcerans putative regulatory protein 0.0076 0.0554 0.0554
Loa Loa (eye worm) MH2 domain-containing protein 0.0118 0.1035 0.1483
Loa Loa (eye worm) hypothetical protein 0.0069 0.0464 0.0665
Brugia malayi Nuclear hormone receptor family member nhr-19 0.013 0.1182 0.1694
Loa Loa (eye worm) hypothetical protein 0.0626 0.6977 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.013 0.1182 0.1694
Echinococcus granulosus snurportin 1 0.0303 0.3205 0.4678
Schistosoma mansoni lipoxygenase 0.043 0.4687 0.6842
Schistosoma mansoni zinc finger protein 0.0061 0.0378 0.0552
Schistosoma mansoni Tr4/Tr2 (homologue) 0.013 0.1182 0.1726
Schistosoma mansoni coup transcription factor 0.013 0.1182 0.1726
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0115 0.0999 0.0999
Schistosoma mansoni nuclear hormone receptor 0.013 0.1182 0.1726
Entamoeba histolytica hypothetical protein 0.0043 0.0168 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.013 0.1182 0.1694
Echinococcus granulosus RUN 0.0103 0.0862 0.1259
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0069 0.0464 0.0678
Loa Loa (eye worm) hypothetical protein 0.0061 0.0378 0.0542
Loa Loa (eye worm) hypothetical protein 0.0069 0.0464 0.0665
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0069 0.0464 0.0665
Brugia malayi hypoxia-induced factor 1 0.032 0.3397 0.4869
Brugia malayi hypothetical protein 0.0263 0.2734 0.3919
Mycobacterium tuberculosis Proteasome alpha subunit PrcA; assembles with beta subunit PrcB. 0.0885 1 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.013 0.1182 0.1694
Echinococcus multilocularis thyroid hormone receptor alpha 0.013 0.1182 0.1726
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0273 0.2849 0.4159
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.0255 0.0372
Echinococcus multilocularis transfer RNA-Lys 0.0076 0.0554 0.0808
Loa Loa (eye worm) hypothetical protein 0.0061 0.0378 0.0542
Echinococcus granulosus lipoxygenase domain containing protein 0.0103 0.0862 0.1259
Brugia malayi nuclear hormone receptor family member nhr-6 0.0061 0.0378 0.0542
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0065 0.0418 0.853
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0115 0.0999 0.0999
Brugia malayi Nuclear hormone receptor family member nhr-14 0.013 0.1182 0.1694
Brugia malayi small heat shock protein 0.0626 0.6977 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.013 0.1182 0.1726
Schistosoma mansoni single-minded 0.0103 0.0868 0.1266
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.049 1
Leishmania major cathepsin L-like protease 0.0071 0.049 0.4903
Echinococcus multilocularis nuclear receptor nhr 48 0.0061 0.0378 0.0552
Schistosoma mansoni loxhd1 0.0103 0.0862 0.1259
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0168 0.0245
Echinococcus multilocularis geminin 0.0188 0.1858 0.2712
Loa Loa (eye worm) hypothetical protein 0.0047 0.0211 0.0302
Loa Loa (eye worm) transcription factor SMAD2 0.0118 0.1035 0.1483
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0115 0.0999 0.1432
Schistosoma mansoni hypothetical protein 0.0188 0.1858 0.2712
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.049 1
Loa Loa (eye worm) hypothetical protein 0.0347 0.3711 0.5318
Echinococcus granulosus lipoxygenase domain containing protein 0.0103 0.0862 0.1259
Echinococcus multilocularis lipoxygenase domain containing protein 0.0103 0.0862 0.1259
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0035 0.007 0.0102
Loa Loa (eye worm) hypothetical protein 0.013 0.1182 0.1694
Loa Loa (eye worm) TAR-binding protein 0.0133 0.1211 0.1736
Brugia malayi nuclear receptor RXR 0.0069 0.0464 0.0665
Brugia malayi PAS domain containing protein 0.0103 0.0868 0.1243
Loa Loa (eye worm) hypothetical protein 0.013 0.1182 0.1694
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.0255 0.0372
Brugia malayi RNA recognition motif domain containing protein 0.0133 0.1211 0.1736
Brugia malayi Cytochrome P450 family protein 0.0148 0.1386 0.1987
Schistosoma mansoni retinoid-x-receptor (RXR) 0.013 0.1182 0.1726
Echinococcus multilocularis FTZ F1 alpha 0.013 0.1182 0.1726
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0031 0.0028 1
Brugia malayi ecdysteroid receptor 0.013 0.1182 0.1694
Onchocerca volvulus 0.013 0.1182 0.4984
Echinococcus granulosus survival motor neuron protein 1 0.0263 0.2734 0.3992
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0133 0.1211 0.1736
Schistosoma mansoni hypothetical protein 0.0035 0.007 0.0102
Brugia malayi Immunoglobulin I-set domain containing protein 0.0047 0.0206 0.0296
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0255 0.0372
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0107 0.0909 0.1302
Brugia malayi hypothetical protein 0.0069 0.0464 0.0665
Loa Loa (eye worm) hypothetical protein 0.0061 0.0378 0.0542
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.0255 0.0372
Loa Loa (eye worm) hypothetical protein 0.0061 0.0378 0.0542
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0061 0.0378 0.0878
Brugia malayi nuclear receptor RXR 0.0061 0.0378 0.0542
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.013 0.1182 0.1726
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.013 0.1182 0.1694
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0115 0.0999 0.1458
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0031 0.0028 0.0569
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.013 0.1182 0.1726
Leishmania major cathepsin L-like protease 0.0071 0.049 0.4903
Brugia malayi hypothetical protein 0.0103 0.0862 0.1236
Echinococcus granulosus Nuclear hormone receptor HR96 0.0061 0.0378 0.0552
Schistosoma mansoni tar DNA-binding protein 0.0133 0.1211 0.1768
Brugia malayi Nuclear hormone receptor family member nhr-31 0.013 0.1182 0.1694
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0061 0.0378 0.0552
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0061 0.0378 0.0878
Brugia malayi bZIP transcription factor family protein 0.0273 0.2849 0.4084
Brugia malayi photoreceptor-specific nuclear receptor 0.013 0.1182 0.1694
Brugia malayi Calcitonin receptor-like protein seb-1 0.0111 0.0955 0.1369
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.013 0.1182 0.4984
Leishmania major cathepsin L-like protease 0.0071 0.049 0.4903
Brugia malayi Nuclear hormone receptor-like 1 0.013 0.1182 0.1694
Schistosoma mansoni hypothetical protein 0.0103 0.0862 0.1259
Onchocerca volvulus 0.0103 0.0862 0.3351
Loa Loa (eye worm) nuclear hormone receptor 0.0061 0.0378 0.0542
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.013 0.1182 0.1726
Onchocerca volvulus 0.0076 0.0554 0.1775
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.013 0.1182 0.1694
Loa Loa (eye worm) hypothetical protein 0.0263 0.2734 0.3919
Brugia malayi RNA binding protein 0.0133 0.1211 0.1736
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0115 0.0999 1
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0171 0.166 0.2423
Schistosoma mansoni nuclear receptor 0.0061 0.0378 0.0552
Echinococcus granulosus Nuclear hormone receptor HR96 0.0061 0.0378 0.0552
Echinococcus multilocularis survival motor neuron protein 1 0.0263 0.2734 0.3992
Onchocerca volvulus Bile acid receptor homolog 0.013 0.1182 0.4984
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0273 0.2849 0.4159
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.049 1
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0115 0.0999 0.0999
Loa Loa (eye worm) hypothetical protein 0.0047 0.0206 0.0296
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0069 0.0464 0.0678
Echinococcus granulosus ecdysone induced protein 78C 0.013 0.1182 0.1726
Schistosoma mansoni survival motor neuron protein 0.0054 0.0287 0.0419
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.013 0.1182 0.1726
Schistosoma mansoni hypothetical protein 0.0222 0.2252 0.3287
Loa Loa (eye worm) hypothetical protein 0.013 0.1182 0.1694
Loa Loa (eye worm) steroid hormone receptor 0.013 0.1182 0.1694
Brugia malayi Steroid receptor seven-up type 2 0.013 0.1182 0.1694
Loa Loa (eye worm) RNA binding protein 0.0133 0.1211 0.1736
Loa Loa (eye worm) flap endonuclease-1 0.0031 0.0028 0.004
Echinococcus granulosus nuclear receptor nhr 48 0.0061 0.0378 0.0552
Schistosoma mansoni hypothetical protein 0.0054 0.0287 0.0419
Brugia malayi Death domain containing protein 0.0047 0.0206 0.0296
Brugia malayi hypothetical protein 0.0061 0.0378 0.0542
Schistosoma mansoni hypothetical protein 0.0043 0.0168 0.0245
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0061 0.0378 0.0552
Loa Loa (eye worm) hypothetical protein 0.0061 0.0378 0.0542
Loa Loa (eye worm) hypoxia-induced factor 1 0.032 0.3397 0.4869
Echinococcus multilocularis tar DNA binding protein 0.0133 0.1211 0.1768
Brugia malayi nuclear receptor NHR-67 0.0061 0.0378 0.0542
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.013 0.1182 0.1726
Brugia malayi Nuclear hormone receptor family member nhr-49 0.013 0.1182 0.1694
Brugia malayi hypothetical protein 0.0043 0.0168 0.0241
Brugia malayi Uncoordinated protein 44 0.0047 0.0206 0.0296
Onchocerca volvulus 0.0214 0.2164 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.013 0.1182 0.1726
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0111 0.0955 0.1369
Brugia malayi RNA, U transporter 1 0.0081 0.0604 0.0866
Onchocerca volvulus Protein ultraspiracle homolog 0.013 0.1182 0.4984
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.049 1
Brugia malayi Protein kinase domain containing protein 0.0047 0.0206 0.0296
Schistosoma mansoni hypothetical protein 0.0035 0.007 0.0102
Loa Loa (eye worm) hypothetical protein 0.0061 0.0378 0.0542
Brugia malayi Nuclear hormone receptor family member nhr-19 0.013 0.1182 0.1694
Brugia malayi Nuclear hormone receptor E75 0.0061 0.0378 0.0542
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0168 0.0245
Brugia malayi hypothetical protein 0.0061 0.0378 0.0542
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.0255 0.0372
Mycobacterium ulcerans proteasome PrcA 0.0885 1 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0111 0.0955 0.1369
Entamoeba histolytica hypothetical protein 0.0043 0.0168 1
Loa Loa (eye worm) hypothetical protein 0.0061 0.0378 0.0542
Echinococcus granulosus GPCR family 2 0.0035 0.007 0.0102
Schistosoma mansoni tar DNA-binding protein 0.0133 0.1211 0.1768
Echinococcus multilocularis ankyrin repeat and death domain containing protein 0.0047 0.0206 0.0301
Schistosoma mansoni netrin receptor unc5 0.0047 0.0206 0.0301
Schistosoma mansoni hypothetical protein 0.0188 0.1858 0.2712
Schistosoma mansoni rab6-interacting 0.0103 0.0862 0.1259
Echinococcus granulosus nuclear receptor 2DBD gamma 0.013 0.1182 0.1726
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.049 1
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0061 0.0378 0.0542
Schistosoma mansoni hypothetical protein 0.0047 0.0206 0.0301
Loa Loa (eye worm) hypothetical protein 0.0103 0.0862 0.1236
Loa Loa (eye worm) hypothetical protein 0.0061 0.0378 0.0542
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0035 0.007 0.0102
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0115 0.0999 0.1458
Loa Loa (eye worm) hypothetical protein 0.0069 0.0464 0.0665
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0069 0.0464 0.0678
Echinococcus granulosus jun protein 0.0273 0.2849 0.4159
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0031 0.0028 0.0279
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0061 0.0378 0.0542
Schistosoma mansoni thyroid hormone receptor 0.013 0.1182 0.1726
Brugia malayi bHLH-PAS transcription factor 0.0076 0.0554 0.0794
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0061 0.0378 0.0552
Echinococcus multilocularis GPCR, family 2 0.0035 0.007 0.0102
Loa Loa (eye worm) hypothetical protein 0.0069 0.0464 0.0665
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.013 0.1182 0.1726
Schistosoma mansoni hypothetical protein 0.0035 0.007 0.0102
Plasmodium falciparum LCCL domain-containing protein 0.0103 0.0862 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0148 0.1386 0.1987
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.049 1
Echinococcus multilocularis netrin receptor unc 5 0.0047 0.0206 0.0301
Echinococcus granulosus retinoic acid receptor rxr beta a 0.024 0.2464 0.3597
Schistosoma mansoni nuclear receptor nhr-48 0.0061 0.0378 0.0552
Loa Loa (eye worm) hypothetical protein 0.013 0.1182 0.1694
Loa Loa (eye worm) hypothetical protein 0.0069 0.0464 0.0665
Echinococcus multilocularis lipoxygenase domain containing protein 0.0103 0.0862 0.1259
Echinococcus granulosus nuclear receptor 2DBD gamma 0.013 0.1182 0.1726
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0051 0.0255 0.0365
Brugia malayi Latrophilin receptor protein 2 0.0035 0.007 0.01
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.013 0.1182 0.1726
Echinococcus multilocularis jun protein 0.0273 0.2849 0.4159
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0061 0.0378 0.0552
Schistosoma mansoni aryl hydrocarbon receptor 0.0103 0.0868 0.1266
Trypanosoma cruzi cysteine peptidase, putative 0.0071 0.049 1
Schistosoma mansoni RAR-like nuclear receptor 0.013 0.1182 0.1726
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.049 1
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0031 0.0028 0.0569
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0445 0.4864 0.71
Onchocerca volvulus 0.0103 0.0862 0.3351
Loa Loa (eye worm) hypothetical protein 0.0035 0.007 0.01
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.013 0.1182 0.1694
Trypanosoma cruzi cysteine peptidase, putative 0.0071 0.049 1
Schistosoma mansoni thyroid hormone receptor 0.013 0.1182 0.1726
Brugia malayi latrophilin 2 splice variant baaae 0.0076 0.0545 0.0782
Schistosoma mansoni jun-related protein 0.0222 0.2252 0.3287
Loa Loa (eye worm) hypothetical protein 0.0265 0.2762 0.3958
Loa Loa (eye worm) hypothetical protein 0.013 0.1182 0.1694
Schistosoma mansoni rab6-interacting 0.0103 0.0862 0.1259
Echinococcus granulosus netrin receptor unc 5 0.0047 0.0206 0.0301
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.013 0.1182 0.1694
Brugia malayi nuclear receptor NHR-88 0.0061 0.0378 0.0542
Entamoeba histolytica hypothetical protein 0.0043 0.0168 1
Echinococcus granulosus ankyrin repeat and death domain containing protein 0.0047 0.0206 0.0301
Schistosoma mansoni tar DNA-binding protein 0.0133 0.1211 0.1768
Onchocerca volvulus 0.0061 0.0378 0.0878
Loa Loa (eye worm) DR-78 0.0061 0.0378 0.0542
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0115 0.0999 0.1458
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.013 0.1182 0.1694
Echinococcus multilocularis Ankyrin 0.0047 0.0211 0.0308
Schistosoma mansoni retinoic acid receptor RXR 0.024 0.2464 0.3597
Echinococcus multilocularis RUN 0.0103 0.0862 0.1259
Brugia malayi Nuclear hormone receptor family member nhr-3 0.013 0.1182 0.1694
Loa Loa (eye worm) hypothetical protein 0.013 0.1182 0.1694
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0061 0.0378 0.0552
Brugia malayi nuclear hormone receptor 0.013 0.1182 0.1694
Brugia malayi tailless protein 0.0061 0.0378 0.0542
Trypanosoma cruzi cysteine peptidase, putative 0.0071 0.049 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0051 0.0255 0.0365
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.049 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.013 0.1182 0.1726
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.013 0.1182 0.1726
Loa Loa (eye worm) hypothetical protein 0.0061 0.0378 0.0542
Brugia malayi Nuclear hormone receptor family member nhr-1 0.013 0.1182 0.1694
Schistosoma mansoni tar DNA-binding protein 0.0133 0.1211 0.1768
Echinococcus granulosus Polycystic kidney disease protein 0.0103 0.0862 0.1259
Loa Loa (eye worm) latrophilin receptor protein 2 0.0035 0.007 0.01
Loa Loa (eye worm) hypothetical protein 0.0061 0.0378 0.0542
Onchocerca volvulus 0.0054 0.0287 0.0414
Schistosoma mansoni hypothetical protein 0.0303 0.3205 0.4678
Schistosoma mansoni lipoxygenase 0.0615 0.685 1
Loa Loa (eye worm) hypothetical protein 0.0061 0.0378 0.0542
Loa Loa (eye worm) hypothetical protein 0.0061 0.0378 0.0542
Loa Loa (eye worm) doublecortin family protein 0.0103 0.0862 0.1236
Brugia malayi orphan nuclear receptor NR2E1 0.0061 0.0378 0.0542
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0061 0.0378 0.0552
Echinococcus granulosus Ankyrin 0.0047 0.0211 0.0308
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0054 0.0287 0.0412
Schistosoma mansoni nuclear hormone receptor 0.0061 0.0378 0.0552
Brugia malayi Doublecortin family protein 0.0103 0.0862 0.1236
Loa Loa (eye worm) hypothetical protein 0.0111 0.0955 0.1369
Brugia malayi nuclear receptor NHR-88 0.013 0.1182 0.1694
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0047 0.0206 0.0296
Brugia malayi TAR-binding protein 0.0133 0.1211 0.1736
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0035 0.007 0.01
Echinococcus granulosus geminin 0.0188 0.1858 0.2712
Loa Loa (eye worm) hypothetical protein 0.013 0.1182 0.1694
Brugia malayi hypothetical protein 0.0069 0.0464 0.0665
Brugia malayi conserved hypotetical protein 0.0061 0.0378 0.0542
Schistosoma mansoni retinoblastoma-binding protein 4 (rbbp4) 0.0047 0.0211 0.0308
Loa Loa (eye worm) hypothetical protein 0.0076 0.0545 0.0782
Echinococcus multilocularis flap endonuclease 1 0.0031 0.0028 0.0041
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.013 0.1182 0.1726
Trypanosoma cruzi cruzipain precursor, putative 0.0071 0.049 1
Echinococcus granulosus tar DNA binding protein 0.0133 0.1211 0.1768
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0255 0.0372
Entamoeba histolytica hypothetical protein 0.0043 0.0168 1
Schistosoma mansoni nuclear hormone receptor 0.0061 0.0378 0.0552
Echinococcus multilocularis snurportin 1 0.0303 0.3205 0.4678
Brugia malayi hypothetical protein 0.0214 0.2164 0.3102
Echinococcus granulosus nuclear factor of activated T cells 5 0.0239 0.2457 0.3586
Echinococcus granulosus flap endonuclease 1 0.0031 0.0028 0.0041
Onchocerca volvulus 0.0061 0.0378 0.0878
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0615 0.685 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.013 0.1182 0.1726
Echinococcus granulosus thyroid hormone receptor alpha 0.0061 0.0378 0.0552
Schistosoma mansoni steroid hormone receptor ad4bp 0.013 0.1182 0.1726
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.013 0.1182 0.1726

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.1122 uM PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Human Flap endonuclease 1 (FEN1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488813] ChEMBL. No reference
Potency (functional) 4.6109 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) = 17.7828 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (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) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) 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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