Detailed information for compound 1067753

Basic information

Technical information
  • TDR Targets ID: 1067753
  • Name: 3-[4-chloro-3-(trifluoromethyl)phenyl]-1-(9-c yclopropyl-9-azabicyclo[3.3.1]nonan-7-yl)urea
  • MW: 401.854 | Formula: C19H23ClF3N3O
  • H donors: 2 H acceptors: 1 LogP: 4.56 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccc(c(c1)C(F)(F)F)Cl)NC1CC2CCCC(C1)N2C1CC1
  • InChi: 1S/C19H23ClF3N3O/c20-17-7-4-11(10-16(17)19(21,22)23)24-18(27)25-12-8-14-2-1-3-15(9-12)26(14)13-5-6-13/h4,7,10,12-15H,1-3,5-6,8-9H2,(H2,24,25,27)
  • InChiKey: WOEAYXLJAHISIF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-(4-Chloro-3-trifluoromethyl-phenyl)-3-(9-cyclopropyl-9-aza-bicyclo[3.3.1]non-3-yl)-urea
  • MLS000121547
  • SMR000118978

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
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
Loa Loa (eye worm) hypothetical protein 0.0151 0.372 0.4739
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.007 0.1632 0.1619
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0008 0.0044 0.0029
Echinococcus granulosus transcription factor Dp 1 0.004 0.0877 0.0862
Plasmodium falciparum 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0021 0.0384 0.1484
Brugia malayi MH1 domain containing protein 0.001 0.0091 0.006
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0008 0.0044 0.0029
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.007 0.1632 0.2047
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.007 0.1632 0.3975
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0016 0.0255 0.0239
Brugia malayi F/Y-rich N-terminus family protein 0.0008 0.0056 0.0015
Echinococcus granulosus tar DNA binding protein 0.0061 0.1412 0.1399
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0008 0.0044 0.0029
Schistosoma mansoni tar DNA-binding protein 0.0061 0.1412 0.1399
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0018 0.0306 0.0147
Echinococcus multilocularis FTZ F1 alpha 0.0008 0.0044 0.0029
Loa Loa (eye worm) hypothetical protein 0.0041 0.0897 0.1099
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0023 0.0417 0.0402
Echinococcus multilocularis geminin 0.0174 0.4303 0.4294
Echinococcus multilocularis thyroid hormone receptor alpha 0.0008 0.0044 0.0029
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0151 0.372 1
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0016 0.0255 0.0239
Schistosoma mansoni smad1 5 8 and 0.001 0.0091 0.0075
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0384 0.1033
Trypanosoma brucei 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0021 0.0384 0.0374
Giardia lamblia Synaptic glycoprotein SC2 0.0021 0.0384 1
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.007 0.1632 0.3975
Schistosoma mansoni nuclear hormone receptor 0.0008 0.0044 0.0029
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0008 0.0044 0.0029
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0016 0.0255 0.0239
Loa Loa (eye worm) MH1 domain-containing protein 0.001 0.0091 0.006
Schistosoma mansoni cpg binding protein 0.0029 0.0593 0.0578
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0008 0.0044 0.0029
Echinococcus multilocularis 3 oxo 5 alpha steroid 4 dehydrogenase, C terminal 0.0021 0.0384 0.0369
Mycobacterium ulcerans aldehyde dehydrogenase 0.0064 0.1488 0.3464
Toxoplasma gondii 3-oxo-5-alpha-steroid 4-dehydrogenase 0.0151 0.372 1
Echinococcus multilocularis TGF beta signal transducer SmadC 0.001 0.0091 0.0075
Schistosoma mansoni aldehyde dehydrogenase 0.0064 0.1488 0.1475
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0328 0.0313
Echinococcus granulosus ecdysone induced protein 78C 0.0008 0.0044 0.0029
Schistosoma mansoni hypothetical protein 0.0174 0.4303 0.4294
Mycobacterium ulcerans aldehyde dehydrogenase 0.0064 0.1488 0.3464
Leishmania major 3-oxo-5-alpha-steroid 4-dehydrogenase-like protein 0.0151 0.372 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.0306 0.029
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0328 0.0366
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0328 0.0313
Schistosoma mansoni hypothetical protein 0.0019 0.0328 0.0313
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.007 0.1632 0.1619
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0552 0.0654
Echinococcus granulosus cpg binding protein 0.0029 0.0593 0.0578
Plasmodium vivax ataxin-2 like protein, putative 0.005 0.1129 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1386 0.173
Schistosoma mansoni hypothetical protein 0.0019 0.0328 0.0313
Loa Loa (eye worm) MH2 domain-containing protein 0.001 0.0091 0.006
Brugia malayi Smad1 0.001 0.0091 0.006
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0151 0.372 1
Loa Loa (eye worm) Smad1 0.001 0.0091 0.006
Schistosoma mansoni smad1 5 8 and 0.001 0.0091 0.0075
Toxoplasma gondii aldehyde dehydrogenase 0.0064 0.1488 0.356
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0008 0.0044 0.0029
Loa Loa (eye worm) hypothetical protein 0.031 0.7801 1
Schistosoma mansoni hypothetical protein 0.0019 0.0328 0.0313
Schistosoma mansoni Smad4 0.001 0.0091 0.0075
Plasmodium falciparum ataxin-2 like protein, putative 0.005 0.1129 1
Brugia malayi MH2 domain containing protein 0.001 0.0091 0.006
Loa Loa (eye worm) hypothetical protein 0.005 0.1129 0.1398
Brugia malayi isocitrate dehydrogenase 0.0016 0.0255 0.0271
Brugia malayi MH1 domain containing protein 0.001 0.0091 0.006
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1386 0.173
Toxoplasma gondii 3-oxo-5-alpha-steroid 4-dehydrogenase 0.0021 0.0384 0.0374
Loa Loa (eye worm) hypothetical protein 0.0021 0.0384 0.0438
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0008 0.0044 0.0029
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.007 0.1632 0.2047
Schistosoma mansoni TGF-beta signal transducer Smad2 0.001 0.0091 0.0075
Entamoeba histolytica hypothetical protein 0.0021 0.0384 0.0231
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0023 0.0417 0.0402
Toxoplasma gondii LsmAD domain-containing protein 0.005 0.1129 0.2522
Schistosoma mansoni smad1 5 8 and 0.001 0.0091 0.0075
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0064 0.1488 0.356
Echinococcus granulosus 3 oxo 5 alpha steroid 4 dehydrogenase C terminal 0.0021 0.0384 0.0369
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0306 0.0583
Echinococcus granulosus TGF beta signal transducer SmadC 0.001 0.0091 0.0075
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0021 0.0384 0.0374
Schistosoma mansoni thyroid hormone receptor 0.0008 0.0044 0.0029
Echinococcus multilocularis synaptic glycoprotein sc2 0.0021 0.0384 0.0369
Schistosoma mansoni hypothetical protein 0.0041 0.0897 0.0882
Toxoplasma gondii histone lysine methyltransferase SET1 0.0053 0.119 0.2699
Trypanosoma cruzi PAB1-binding protein , putative 0.005 0.1129 0.2522
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0008 0.0044 0.0029
Toxoplasma gondii exonuclease III APE 0.0018 0.0306 0.0147
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.0306 0.5
Schistosoma mansoni ap endonuclease 0.0018 0.0306 0.029
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0008 0.0044 0.0029
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.3546 0.4514
Brugia malayi MH2 domain containing protein 0.001 0.0091 0.006
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0064 0.1488 0.1475
Loa Loa (eye worm) isocitrate dehydrogenase 0.0016 0.0255 0.0271
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0018 0.0306 0.0147
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.007 0.1632 0.3975
Schistosoma mansoni synaptic glycoprotein sc2 related 0.0021 0.0384 0.0369
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0328 0.0313
Echinococcus granulosus FTZ F1 alpha 0.0008 0.0044 0.0029
Schistosoma mansoni synaptic glycoprotein sc2 related 0.0021 0.0384 0.0369
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0018 0.0306 0.0147
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0328 0.0366
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0306 0.0821
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0008 0.0044 0.0029
Brugia malayi RNA recognition motif domain containing protein 0.0061 0.1412 0.1763
Plasmodium falciparum polyprenol reductase, putative 0.0021 0.0384 0.1484
Schistosoma mansoni aldehyde dehydrogenase 0.0064 0.1488 0.1475
Trypanosoma brucei 3-oxo-5-alpha-steroid 4-dehydrogenase-like, putative 0.0151 0.372 1
Echinococcus multilocularis GPCR, family 2 0.0019 0.0328 0.0313
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0008 0.0044 0.0029
Brugia malayi hypothetical protein 0.031 0.7801 1
Brugia malayi Synaptic glycoprotein SC2 0.0021 0.0384 0.0438
Echinococcus granulosus geminin 0.0174 0.4303 0.4294
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.3546 0.4514
Loa Loa (eye worm) TAR-binding protein 0.0061 0.1412 0.1763
Echinococcus multilocularis smad 0.001 0.0091 0.0075
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0306 0.0583
Loa Loa (eye worm) RNA binding protein 0.0061 0.1412 0.1763
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0021 0.0384 0.1033
Schistosoma mansoni coup transcription factor 0.0008 0.0044 0.0029
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0008 0.0044 0.0029
Onchocerca volvulus 0.031 0.7801 1
Loa Loa (eye worm) hypothetical protein 0.006 0.1386 0.173
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0306 0.0821
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0151 0.372 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0059 0.0044
Plasmodium vivax 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0021 0.0384 0.1484
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0.0306 0.5
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0008 0.0044 0.0029
Schistosoma mansoni RAR-like nuclear receptor 0.0008 0.0044 0.0029
Brugia malayi hypothetical protein 0.005 0.1129 0.1398
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0018 0.0306 0.0147
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0061 0.1412 0.1763
Schistosoma mansoni cpg binding protein 0.0029 0.0593 0.0578
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0384 0.1033
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0151 0.372 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0008 0.0044 0.0029
Echinococcus multilocularis mothers against decapentaplegic 5 0.001 0.0091 0.0075
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.007 0.1632 0.1619
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.007 0.1632 0.3885
Schistosoma mansoni smad 0.001 0.0091 0.0075
Schistosoma mansoni steroid hormone receptor ad4bp 0.0008 0.0044 0.0029
Schistosoma mansoni tar DNA-binding protein 0.0061 0.1412 0.1399
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0328 0.0366
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0008 0.0044 0.0029
Schistosoma mansoni tar DNA-binding protein 0.0061 0.1412 0.1399
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0255 0.0239
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0255 0.0239
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.0306 0.029
Entamoeba histolytica steroid 5-alpha reductase, putative 0.0151 0.372 1
Schistosoma mansoni retinoic acid receptor RXR 0.0008 0.0044 0.0029
Onchocerca volvulus 0.0021 0.0384 0.0438
Onchocerca volvulus 0.0028 0.0552 0.0654
Echinococcus granulosus GPCR family 2 0.0019 0.0328 0.0313
Brugia malayi MH2 domain containing protein 0.0144 0.3546 0.4514
Brugia malayi 3-oxo-5-alpha-steroid 4-dehydrogenase 1 0.0151 0.372 0.4739
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0897 0.1099
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0059 0.0019
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0008 0.0044 0.0029
Trypanosoma brucei PAB1-binding protein , putative 0.005 0.1129 0.2522
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0059 0.1352 0.1338
Mycobacterium ulcerans aldehyde dehydrogenase 0.0064 0.1488 0.3464
Leishmania major hypothetical protein, conserved 0.005 0.1129 0.2522
Echinococcus multilocularis tar DNA binding protein 0.0061 0.1412 0.1399
Plasmodium vivax polyprenol reductase, putative 0.0021 0.0384 0.1484
Plasmodium falciparum ataxin-2 like protein, putative 0.005 0.1129 1
Brugia malayi TAR-binding protein 0.0061 0.1412 0.1763
Schistosoma mansoni cpg binding protein 0.0028 0.0552 0.0537
Echinococcus multilocularis transcription factor Dp 1 0.004 0.0877 0.0862
Entamoeba histolytica trans-2,3-enoyl-CoA reductase, putative 0.0021 0.0384 0.0231
Echinococcus granulosus synaptic glycoprotein sc2 0.0021 0.0384 0.0369
Schistosoma mansoni hypothetical protein 0.0174 0.4303 0.4294
Schistosoma mansoni tar DNA-binding protein 0.0061 0.1412 0.1399
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0008 0.0044 0.0029
Mycobacterium ulcerans hypothetical protein 0.0151 0.372 1
Brugia malayi RNA binding protein 0.0061 0.1412 0.1763
Schistosoma mansoni thyroid hormone receptor 0.0008 0.0044 0.0029
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.007 0.1632 0.3975
Brugia malayi Isocitrate dehydrogenase 0.0016 0.0255 0.0271
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0328 0.0313
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0255 0.0239
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0151 0.372 1
Trichomonas vaginalis synaptic glycoprotein sc2, putative 0.0021 0.0384 0.1033
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0008 0.0044 0.0029
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0018 0.0306 0.0413
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0059 0.0044
Entamoeba histolytica 3-oxo-5-alpha-steroid 4-dehydrogenase domain-containing protein 0.0021 0.0384 0.0231
Brugia malayi hypothetical protein 0.0032 0.0671 0.0808
Schistosoma mansoni ap endonuclease 0.0018 0.0306 0.029
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0306 0.0337
Trichomonas vaginalis synaptic glycoprotein sc2, putative 0.0021 0.0384 0.1033
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0008 0.0044 0.0029
Echinococcus granulosus smad 0.001 0.0091 0.0075
Loa Loa (eye worm) hypothetical protein 0.0019 0.0328 0.0366
Echinococcus granulosus Smad4 0.001 0.0091 0.0075
Schistosoma mansoni hypothetical protein 0.0023 0.0417 0.0402
Trypanosoma cruzi PAB1-binding protein , putative 0.005 0.1129 0.2522
Echinococcus multilocularis Smad4 0.001 0.0091 0.0075
Loa Loa (eye worm) hypothetical protein 0.0021 0.0384 0.0438
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0064 0.1488 0.1475
Trichomonas vaginalis synaptic glycoprotein sc2, putative 0.0021 0.0384 0.1033
Echinococcus multilocularis cpg binding protein 0.0029 0.0593 0.0578
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0064 0.1488 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.0306 0.0337
Schistosoma mansoni hypothetical protein 0.0019 0.0328 0.0313
Echinococcus granulosus mothers against decapentaplegic 5 0.001 0.0091 0.0075
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1386 0.173
Schistosoma mansoni tar DNA-binding protein 0.0061 0.1412 0.1399
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0008 0.0044 0.0029
Toxoplasma gondii 3-oxo-5-alpha-steroid 4-dehydrogenase 0.0021 0.0384 0.0374
Brugia malayi CXXC zinc finger family protein 0.0028 0.0552 0.0654
Echinococcus multilocularis isocitrate dehydrogenase 0.0016 0.0255 0.0239

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) = 25.7 uM PUBCHEM_BIOASSAY: Bacterial Growth Inhibition Counterscreen using BacTiter-Glo Measured in Microorganism System Using Plate Reader - 2093-02_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488938] ChEMBL. No reference
Potency (functional) 3.1623 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.9526 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) 19.9526 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens 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.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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