Detailed information for compound 1321428

Basic information

Technical information
  • TDR Targets ID: 1321428
  • Name: 3-(4-chloro-2-methylphenyl)-1-propylthiourea
  • MW: 242.768 | Formula: C11H15ClN2S
  • H donors: 1 H acceptors: 0 LogP: 3.68 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCN=C(Nc1ccc(cc1C)Cl)S
  • InChi: 1S/C11H15ClN2S/c1-3-6-13-11(15)14-10-5-4-9(12)7-8(10)2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15)
  • InChiKey: QQEXZHYCWDELHR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-(4-chloro-2-methyl-phenyl)-1-propyl-thiourea
  • ZINC02783412
  • MLS000677013
  • N-(4-chloro-2-methylphenyl)-N'-propylthiourea
  • SMR000270834

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium tuberculosis Conserved protein 0.0036 0.0168 0.0652
Schistosoma mansoni hypothetical protein 0.0018 0.0042 0.0042
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0295 0.0295
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0004 0.0004
Schistosoma mansoni coup transcription factor 0.0012 0.0004 0.0004
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0168 0.0168
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0033 0.0144 0.0144
Brugia malayi steroid hormone receptor 0.0012 0.0004 0.0004
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0004 0.0004
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0004 0.0004
Loa Loa (eye worm) hypothetical protein 0.0036 0.0168 0.0168
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0056 0.0303 0.0303
Mycobacterium tuberculosis Conserved protein 0.0036 0.0168 0.0652
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0036 0.0168 0.0652
Loa Loa (eye worm) hypothetical protein 0.0286 0.1849 0.1849
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0168 0.0574
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0091 1
Schistosoma mansoni hypothetical protein 0.0039 0.0182 0.0182
Echinococcus granulosus MAP kinase activated protein kinase 2 0.1494 1 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.0075 0.5
Echinococcus multilocularis geminin 0.0205 0.1303 0.1303
Loa Loa (eye worm) hypothetical protein 0.0012 0.0004 0.0004
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0018 0.0042 0.0042
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0004 0.0004
Brugia malayi hypothetical protein 0.0286 0.1849 0.1849
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0018 0.0042 0.0042
Brugia malayi latrophilin 2 splice variant baaae 0.0039 0.0182 0.0182
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0075 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0144 0.0144
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0004 0.0004
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0032 0.0136 0.0136
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0018 0.0042 0.0042
Echinococcus granulosus serine:threonine protein kinase Chk2 0.0046 0.0235 0.0235
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.0895 0.0895
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0004 0.0004
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0295 0.0295
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.008 0.046 0.046
Mycobacterium leprae Probable lipase LipE 0.0036 0.0168 0.5
Echinococcus multilocularis GPCR, family 2 0.0018 0.0042 0.0042
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0091 0.1712
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.1849 0.1849
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0004 0.0004
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0004 0.0004
Mycobacterium ulcerans beta-lactamase 0.0036 0.0168 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0004 0.0004
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0168 0.0574
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0018 0.0042 0.0042
Brugia malayi MH2 domain containing protein 0.0144 0.0895 0.0895
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0075 0.0075
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0295 0.0295
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0168 1
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0004 0.0004
Loa Loa (eye worm) hypothetical protein 0.0036 0.0168 0.0168
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.0168 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0004 0.0004
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0091 0.1712
Plasmodium vivax hypothetical protein, conserved 0.0036 0.0168 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0033 0.0144 0.743
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.0895 0.0895
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0004 0.0004
Loa Loa (eye worm) hypothetical protein 0.0012 0.0004 0.0004
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0168 0.0168
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0004 0.0004
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0004 0.0004
Loa Loa (eye worm) latrophilin receptor protein 2 0.0018 0.0042 0.0042
Schistosoma mansoni gabp alpha 0.008 0.046 0.046
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0144 0.0144
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0004 0.0004
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0229 0.1469 0.1469
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0168 0.0168
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0295 0.0295
Mycobacterium tuberculosis Conserved protein 0.0036 0.0168 0.0652
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0004 0.0004
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0295 0.0295
Brugia malayi nuclear receptor NHR-88 0.0012 0.0004 0.0004
Onchocerca volvulus 0.0033 0.0144 0.0831
Mycobacterium leprae conserved hypothetical protein 0.0036 0.0168 0.5
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0075 0.0075
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0004 0.0004
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0004 0.0004
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0004 0.0004
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0295 0.0295
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0033 0.0144 0.0144
Schistosoma mansoni hypothetical protein 0.0205 0.1303 0.1303
Schistosoma mansoni hypothetical protein 0.0018 0.0042 0.0042
Loa Loa (eye worm) hypothetical protein 0.0056 0.0303 0.0303
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0168 0.0168
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0004 0.0004
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.0168 1
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0168 0.0574
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0004 0.0004
Echinococcus multilocularis MAP kinase activated protein kinase 2 0.1494 1 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0033 0.0144 0.0144
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0004 0.0004
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0091 0.1712
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0004 0.0004
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0091 1
Loa Loa (eye worm) beta-lactamase 0.0036 0.0168 0.0168
Brugia malayi Pre-SET motif family protein 0.0229 0.1469 0.1469
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0075 0.0075
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0004 0.0004
Entamoeba histolytica protein kinase, putative 0.0046 0.0235 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0168 0.0168
Brugia malayi Calcitonin receptor-like protein seb-1 0.0056 0.0303 0.0303
Loa Loa (eye worm) hypothetical protein 0.0039 0.0182 0.0182
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0004 0.0004
Echinococcus multilocularis calcium:calmodulin dependent protein kinase I 0.0046 0.0235 0.0235
Onchocerca volvulus 0.0036 0.0168 0.0973
Schistosoma mansoni serine/threonine protein kinase 0.1494 1 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0168 0.0168
Brugia malayi ecdysteroid receptor 0.0012 0.0004 0.0004
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.0168 1
Echinococcus multilocularis GA binding protein alpha chain 0.008 0.046 0.046
Leishmania major hypothetical protein, conserved 0.0036 0.0168 1
Entamoeba histolytica protein kinase, putative 0.0046 0.0235 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0042 0.0042
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0004 0.0004
Loa Loa (eye worm) hypothetical protein 0.0025 0.0091 0.0091
Schistosoma mansoni serine/threonine protein kinase 0.0046 0.0235 0.0235
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0004 0.0004
Schistosoma mansoni hypothetical protein 0.0058 0.0315 0.0315
Onchocerca volvulus 0.0058 0.0315 0.1851
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0004 0.0004
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0056 0.0303 0.0303
Loa Loa (eye worm) hypothetical protein 0.0012 0.0004 0.0004
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0295 0.0295
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0004 0.0004
Schistosoma mansoni ap endonuclease 0.0023 0.0075 0.0075
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0233 0.1491 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0004 0.0004
Brugia malayi Ets-domain containing protein 0.008 0.046 0.046
Brugia malayi beta-lactamase family protein 0.0036 0.0168 0.0168
Echinococcus multilocularis serine:threonine protein kinase Chk2 0.0046 0.0235 0.0235
Schistosoma mansoni ap endonuclease 0.0023 0.0075 0.0075
Schistosoma mansoni hypothetical protein 0.0018 0.0042 0.0042
Brugia malayi hypothetical protein 0.0016 0.0031 0.0031
Loa Loa (eye worm) hypothetical protein 0.0012 0.0004 0.0004
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0144 0.0144
Brugia malayi nuclear hormone receptor 0.0012 0.0004 0.0004
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0004 0.0004
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0036 0.0168 0.0652
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0168 0.0574
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0004 0.0004
Loa Loa (eye worm) hypothetical protein 0.0033 0.0144 0.0144
Brugia malayi Fli-1 protein 0.0242 0.1556 0.1556
Schistosoma mansoni hypothetical protein 0.0205 0.1303 0.1303
Mycobacterium tuberculosis Probable esterase LipL 0.0036 0.0168 0.0652
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0004 0.0004
Brugia malayi Pre-SET motif family protein 0.0033 0.0144 0.0144
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0004 0.0004
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0168 0.0574
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0004 0.0004
Onchocerca volvulus 0.0036 0.0168 0.0973
Trichomonas vaginalis set domain proteins, putative 0.0261 0.1682 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0004 0.0004
Onchocerca volvulus 0.0036 0.0168 0.0973
Onchocerca volvulus 0.0261 0.1682 1
Loa Loa (eye worm) fli-1 protein 0.0242 0.1556 0.1556
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0004 0.0004
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0004 0.0004
Leishmania major hypothetical protein, conserved 0.0025 0.0091 0.1712
Brugia malayi hypothetical protein 0.0025 0.0091 0.0091
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0004 0.0004
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0004 0.0004
Echinococcus granulosus GA binding protein alpha chain 0.008 0.046 0.046
Loa Loa (eye worm) hypothetical protein 0.0012 0.0004 0.0004
Schistosoma mansoni survival motor neuron protein 0.0058 0.0315 0.0315
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.0315 0.0315
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0168 0.0168
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0004 0.0004
Echinococcus granulosus geminin 0.0205 0.1303 0.1303
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0168 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0004 0.0004
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0091 0.1712
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0004 0.0004
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0091 0.1712
Loa Loa (eye worm) hypothetical protein 0.0012 0.0004 0.0004
Plasmodium vivax SET domain protein, putative 0.0033 0.0144 0.743
Mycobacterium ulcerans lipase LipD 0.0036 0.0168 1
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0036 0.0168 0.0652
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0018 0.0042 0.0042
Schistosoma mansoni hypothetical protein 0.0018 0.0042 0.0042
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0004 0.0004
Brugia malayi beta-lactamase family protein 0.0036 0.0168 0.0168
Loa Loa (eye worm) hypothetical protein 0.0068 0.0382 0.0382
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0004 0.0004
Loa Loa (eye worm) hypothetical protein 0.0036 0.0168 0.0168
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0004 0.0004
Mycobacterium tuberculosis Probable lipase LipD 0.0036 0.0168 0.0652
Mycobacterium ulcerans hypothetical protein 0.0036 0.0168 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0004 0.0004
Mycobacterium tuberculosis Probable hydrolase 0.0036 0.0168 0.0652
Toxoplasma gondii ABC1 family protein 0.0036 0.0168 1
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0004 0.0004
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0004 0.0004
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0004 0.0004
Brugia malayi Ets-domain containing protein 0.008 0.046 0.046
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0295 0.0295
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.1849 0.1849
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0004 0.0004
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0295 0.0295
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0004 0.0004
Trichomonas vaginalis esterase, putative 0.0036 0.0168 0.0574
Loa Loa (eye worm) hypothetical protein 0.0036 0.0168 0.0168
Brugia malayi Latrophilin receptor protein 2 0.0018 0.0042 0.0042
Brugia malayi beta-lactamase 0.0036 0.0168 0.0168
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0004 0.0004
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0033 0.0144 0.0144
Echinococcus granulosus calcium:calmodulin dependent protein kinase I 0.0046 0.0235 0.0235
Loa Loa (eye worm) camk/mapkapk/mapkapk protein kinase 0.1494 1 1
Echinococcus granulosus GPCR family 2 0.0018 0.0042 0.0042
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0004 0.0004
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0075 0.5
Loa Loa (eye worm) hypothetical protein 0.0036 0.0168 0.0168
Schistosoma mansoni ets-related 0.0242 0.1556 0.1556
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0004 0.0004
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0075 0.0075
Mycobacterium tuberculosis Probable lipase LipE 0.0036 0.0168 0.0652
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0004 0.0004

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.4654 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) 0.6513 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 1.122 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 7.0795 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (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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