Detailed information for compound 1282255

Basic information

Technical information
  • TDR Targets ID: 1282255
  • Name: phenylmethyl N-[3-(1H-indol-3-yl)-1-[(2-metho xyphenyl)methylamino]-1-oxopropan-2-yl]carbam ate
  • MW: 457.521 | Formula: C27H27N3O4
  • H donors: 3 H acceptors: 2 LogP: 4.37 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccccc1CNC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)OCc1ccccc1
  • InChi: 1S/C27H27N3O4/c1-33-25-14-8-5-11-20(25)16-29-26(31)24(15-21-17-28-23-13-7-6-12-22(21)23)30-27(32)34-18-19-9-3-2-4-10-19/h2-14,17,24,28H,15-16,18H2,1H3,(H,29,31)(H,30,32)
  • InChiKey: TWGDDMLBHYFLLJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • phenylmethyl N-[1-(1H-indol-3-ylmethyl)-2-[(2-methoxyphenyl)methylamino]-2-oxo-ethyl]carbamate
  • N-[1-(1H-indol-3-ylmethyl)-2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]carbamic acid phenylmethyl ester
  • N-[1-(1H-indol-3-ylmethyl)-2-keto-2-[(2-methoxybenzyl)amino]ethyl]carbamic acid benzyl ester
  • phenylmethyl N-[3-(1H-indol-3-yl)-1-[(2-methoxyphenyl)methylamino]-1-oxo-propan-2-yl]carbamate
  • MLS000336520
  • SMR000254074
  • T5282713

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
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
Schistosoma mansoni hypothetical protein 0.0015 0.0054 0.0101
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0012 0.0031 0.5
Loa Loa (eye worm) hypothetical protein 0.0795 0.5089 0.5084
Trypanosoma cruzi C-8 sterol isomerase, putative 0.1555 1 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.0268 0.0257
Trypanosoma brucei C-8 sterol isomerase, putative 0.1555 1 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0031 0.002
Loa Loa (eye worm) hypothetical protein 0.0012 0.0031 0.002
Trypanosoma cruzi 3-Beta-hydroxysteroid-delta(8), delta(7)-isomerase, putative 0.0424 0.2696 0.2584
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0015 0.0054 0.0044
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0012 0.0031 0.002
Schistosoma mansoni cpg binding protein 0.0029 0.0146 0.0273
Onchocerca volvulus 0.0424 0.2696 1
Schistosoma mansoni Smad4 0.001 0.0019 0.0035
Schistosoma mansoni cpg binding protein 0.0029 0.0146 0.0273
Loa Loa (eye worm) hypothetical protein 0.0048 0.0265 0.0255
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0368 0.069
Echinococcus granulosus microtubule associated protein 2 0.0833 0.5338 1
Treponema pallidum sodium- and chloride- dependent transporter 0.0069 0.04 0.5
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0166 0.0155
Loa Loa (eye worm) hypothetical protein 0.1555 1 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0169 0.0158
Echinococcus multilocularis serotonin transporter 0.0069 0.04 0.0749
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.0887 0.0877
Loa Loa (eye worm) RNA binding protein 0.0064 0.0368 0.0358
Echinococcus granulosus sodium and chloride dependent glycine 0.0012 0.0031 0.0058
Schistosoma mansoni cellular tumor antigen P53 0.0048 0.0265 0.0497
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0069 0.04 0.039
Echinococcus multilocularis TGF beta signal transducer SmadC 0.001 0.0019 0.0035
Schistosoma mansoni lamin 0.0033 0.0166 0.031
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0368 0.069
Echinococcus multilocularis lamin 0.0033 0.0166 0.031
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0014 0.0043 0.0081
Schistosoma mansoni hypothetical protein 0.0033 0.0169 0.0316
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0012 0.0031 0.0058
Echinococcus multilocularis tumor protein p63 0.0328 0.2073 0.3882
Schistosoma mansoni hypothetical protein 0.0397 0.2518 0.4717
Schistosoma mansoni sodium/chloride dependent transporter 0.0012 0.0031 0.0058
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0012 0.0031 0.002
Trypanosoma cruzi 3-Beta-hydroxysteroid-delta(8), delta(7)-isomerase, putative 0.0424 0.2696 0.2584
Brugia malayi acetyltransferase, GNAT family protein 0.0141 0.0863 0.0854
Brugia malayi hypothetical protein 0.003 0.0152 0.0142
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0011 0.0021
Brugia malayi RNA binding protein 0.0064 0.0368 0.0359
Loa Loa (eye worm) hypothetical protein 0.0012 0.0031 0.002
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0012 0.0031 0.002
Brugia malayi MH2 domain containing protein 0.001 0.0019 0.0008
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0141 0.0863 0.1618
Schistosoma mansoni smad1 5 8 and 0.001 0.0019 0.0035
Loa Loa (eye worm) latrophilin receptor protein 2 0.0015 0.0054 0.0043
Schistosoma mansoni hypothetical protein 0.0015 0.0054 0.0101
Schistosoma mansoni smad1 5 8 and 0.001 0.0019 0.0035
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0012 0.0031 0.0058
Loa Loa (eye worm) MH1 domain-containing protein 0.001 0.0019 0.0008
Brugia malayi hypothetical protein 0.0012 0.0031 0.002
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0012 0.0031 0.002
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0015 0.0054 0.0101
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.5338 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.0268 0.0258
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.0268 0.0257
Toxoplasma gondii histone lysine methyltransferase SET1 0.0056 0.0318 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0015 0.0054 0.0101
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0041 0.0222 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0041 0.0222 0.666
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.0887 0.0877
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0064 0.0368 0.0358
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0012 0.0031 0.0058
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0368 0.069
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0012 0.0031 0.0058
Echinococcus granulosus dnaJ subfamily B 0.0397 0.2518 0.4717
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0041 0.0222 0.5
Loa Loa (eye worm) hypothetical protein 0.0069 0.04 0.0389
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0041 0.0222 0.666
Brugia malayi MH2 domain containing protein 0.0144 0.0887 0.0877
Echinococcus granulosus tumor protein p63 0.0328 0.2073 0.3882
Loa Loa (eye worm) hypothetical protein 0.0069 0.04 0.0389
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0012 0.0031 0.002
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.0268 0.0258
Echinococcus granulosus sodium and chloride dependent glycine 0.0012 0.0031 0.0058
Leishmania major C-8 sterol isomerase-like protein 0.1555 1 1
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0069 0.04 0.0749
Echinococcus granulosus TGF beta signal transducer SmadC 0.001 0.0019 0.0035
Schistosoma mansoni hypothetical protein 0.0015 0.0054 0.0101
Onchocerca volvulus 0.0033 0.0166 0.0506
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0015 0.0054 0.0101
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0152 0.6324
Loa Loa (eye worm) hypothetical protein 0.0033 0.0166 0.0155
Echinococcus multilocularis Smad4 0.001 0.0019 0.0035
Loa Loa (eye worm) TAR-binding protein 0.0064 0.0368 0.0358
Schistosoma mansoni hypothetical protein 0.0014 0.0043 0.0081
Echinococcus granulosus histone acetyltransferase KAT2B 0.0041 0.0222 0.0417
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0166 0.0155
Loa Loa (eye worm) hypothetical protein 0.0015 0.0053 0.0042
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0012 0.0031 0.0058
Loa Loa (eye worm) solute carrier family 6 member 4 0.0069 0.04 0.0389
Echinococcus granulosus cpg binding protein 0.0029 0.0146 0.0273
Schistosoma mansoni hypothetical protein 0.0015 0.0054 0.0101
Loa Loa (eye worm) MH2 domain-containing protein 0.001 0.0019 0.0008
Giardia lamblia Histone acetyltransferase GCN5 0.0038 0.02 0.5
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0012 0.0031 0.002
Echinococcus multilocularis tar DNA binding protein 0.0064 0.0368 0.069
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0011 0.0021
Brugia malayi hypothetical protein 0.002 0.0082 0.0072
Echinococcus granulosus histone acetyltransferase KAT2B 0.0137 0.0838 0.157
Echinococcus granulosus mothers against decapentaplegic 5 0.001 0.0019 0.0035
Loa Loa (eye worm) hypothetical protein 0.0016 0.0057 0.0046
Echinococcus granulosus tar DNA binding protein 0.0064 0.0368 0.069
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0012 0.0031 0.0058
Trypanosoma brucei Emopamil binding protein, putative 0.0424 0.2696 0.2584
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0012 0.0031 0.0058
Loa Loa (eye worm) Smad1 0.001 0.0019 0.0008
Loa Loa (eye worm) serotonin transporter b 0.0069 0.04 0.0389
Schistosoma mansoni lamin 0.0033 0.0166 0.031
Echinococcus granulosus lamin dm0 0.0033 0.0166 0.031
Echinococcus multilocularis sodium and chloride dependent glycine 0.0012 0.0031 0.0058
Echinococcus granulosus smad 0.001 0.0019 0.0035
Schistosoma mansoni cpg binding protein 0.0028 0.0135 0.0253
Trichomonas vaginalis bromodomain-containing protein, putative 0.0041 0.0222 0.5
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0012 0.0031 0.0058
Loa Loa (eye worm) hypothetical protein 0.0015 0.0054 0.0043
Echinococcus multilocularis sodium and chloride dependent glycine 0.0012 0.0031 0.0058
Plasmodium falciparum histone acetyltransferase GCN5 0.0038 0.02 1
Echinococcus multilocularis mothers against decapentaplegic 5 0.001 0.0019 0.0035
Echinococcus granulosus serotonin transporter 0.0069 0.04 0.0749
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0135 0.0124
Echinococcus multilocularis musashi 0.0033 0.0166 0.031
Brugia malayi intermediate filament protein 0.0033 0.0166 0.0156
Loa Loa (eye worm) hypothetical protein 0.0012 0.0031 0.002
Loa Loa (eye worm) hypothetical protein 0.0012 0.0031 0.002
Brugia malayi RNA recognition motif domain containing protein 0.0064 0.0368 0.0359
Brugia malayi MH2 domain containing protein 0.001 0.0019 0.0008
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0012 0.0031 0.0058
Echinococcus multilocularis dnaJ subfamily B 0.0397 0.2518 0.4717
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0152 0.7154
Echinococcus multilocularis cpg binding protein 0.0029 0.0146 0.0273
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.5338 1
Entamoeba histolytica acetyltransferase, GNAT family 0.0038 0.02 0.5
Brugia malayi TAR-binding protein 0.0064 0.0368 0.0359
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0368 0.069
Schistosoma mansoni sodium/chloride dependent transporter 0.0069 0.04 0.0749
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0012 0.0031 0.0058
Echinococcus granulosus intermediate filament protein 0.0033 0.0166 0.031
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0012 0.0031 0.0058
Onchocerca volvulus 0.0028 0.0135 0.0392
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0016 0.0057 0.0106
Echinococcus granulosus lamin 0.0033 0.0166 0.031
Schistosoma mansoni sodium-dependent amino acid transporter 0.0012 0.0031 0.0058
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0152 0.7154
Onchocerca volvulus 0.0069 0.04 0.1384
Echinococcus multilocularis smad 0.001 0.0019 0.0035
Echinococcus multilocularis GPCR, family 2 0.0015 0.0054 0.0101
Leishmania major 3-Beta-hydroxysteroid-delta(8), delta(7)-isomerase, putative 0.0424 0.2696 0.2584
Brugia malayi Smad1 0.001 0.0019 0.0008
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0014 0.0043 0.0081
Trypanosoma cruzi Emopamil binding protein, putative 0.0424 0.2696 0.2584
Brugia malayi CXXC zinc finger family protein 0.0028 0.0135 0.0125
Loa Loa (eye worm) hypothetical protein 0.0015 0.0053 0.0042
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0012 0.0031 0.0058
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0015 0.0054 0.0101
Schistosoma mansoni smad 0.001 0.0019 0.0035
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0368 0.069
Schistosoma mansoni intermediate filament proteins 0.0033 0.0166 0.031
Loa Loa (eye worm) acetyltransferase 0.0141 0.0863 0.0853
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0012 0.0031 0.0058
Loa Loa (eye worm) hypothetical protein 0.0012 0.0031 0.002
Echinococcus multilocularis lamin dm0 0.0033 0.0166 0.031
Schistosoma mansoni sodium/chloride dependent transporter 0.0012 0.0031 0.0058
Brugia malayi Latrophilin receptor protein 2 0.0015 0.0054 0.0044
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0068 0.0058
Loa Loa (eye worm) hypothetical protein 0.0069 0.04 0.0389
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0012 0.0031 0.0058
Brugia malayi MH1 domain containing protein 0.001 0.0019 0.0008
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0068 0.0057
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0012 0.0031 0.0058
Schistosoma mansoni TGF-beta signal transducer Smad2 0.001 0.0019 0.0035
Brugia malayi MH1 domain containing protein 0.001 0.0019 0.0008
Schistosoma mansoni smad1 5 8 and 0.001 0.0019 0.0035
Loa Loa (eye worm) hypothetical protein 0.0012 0.0031 0.002
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0059 0.0337 0.0631
Onchocerca volvulus 0.0033 0.0166 0.0506
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0152 0.4212
Leishmania major hypothetical protein, conserved 0.0424 0.2696 0.2584
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0141 0.0863 0.1618
Echinococcus granulosus GPCR family 2 0.0015 0.0054 0.0101
Loa Loa (eye worm) hypothetical protein 0.003 0.0152 0.0141
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0016 0.0057 0.0106
Loa Loa (eye worm) norepinephrine transporter 0.0069 0.04 0.0389
Onchocerca volvulus 0.0048 0.0265 0.088
Echinococcus granulosus Smad4 0.001 0.0019 0.0035
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0169 0.0159
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0166 0.0156
Loa Loa (eye worm) hypothetical protein 0.0032 0.0162 0.0151
Trypanosoma cruzi Emopamil binding protein, putative 0.0424 0.2696 0.2584

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.4467 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 4.4668 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
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 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) = 14.1254 um PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 16.3601 uM PubChem BioAssay. qHTS for Inhibitors of TGF-b: Confirmation of Cherry Picks. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.3564 uM PubChem BioAssay. qHTS for Inhibitors of TGF-b: CCL64 Cells Orthogonal Assay for Cherry Picks. (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) 20.5962 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) 25.929 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) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS Assay to Identify Small Molecule Activators of BRCA1 Expression. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
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.
 
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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