Detailed information for compound 1278189

Basic information

Technical information
  • TDR Targets ID: 1278189
  • Name: 2-[2-[[4-(trifluoromethoxy)phenyl]carbamoyl]p henyl]benzoic acid
  • MW: 401.335 | Formula: C21H14F3NO4
  • H donors: 2 H acceptors: 3 LogP: 5.09 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccccc1c1ccccc1C(=O)O)Nc1ccc(cc1)OC(F)(F)F
  • InChi: 1S/C21H14F3NO4/c22-21(23,24)29-14-11-9-13(10-12-14)25-19(26)17-7-3-1-5-15(17)16-6-2-4-8-18(16)20(27)28/h1-12H,(H,25,26)(H,27,28)
  • InChiKey: KFMQFLDKBRDILL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[2-[oxo-[[4-(trifluoromethoxy)phenyl]amino]methyl]phenyl]benzoic acid
  • AN-979/41713943
  • 2'-{[4-(trifluoromethoxy)anilino]carbonyl}[1,1'-biphenyl]-2-carboxylic acid
  • MLS001180583
  • SMR000477439
  • STK259790

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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
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
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
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 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
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
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 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Plasmodium falciparum histone deacetylase, putative 0.0317 0.0793 0.7539
Brugia malayi RNA recognition motif domain containing protein 0.0064 0.0115 0.1109
Mycobacterium ulcerans N-acetyl-1-D-myo-inosityl-2-amino-2-deoxy-alpha-D-glucopyranoside deacetylase MshB 0.0042 0.0057 0.0057
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0078 0.0153 0.1085
Trypanosoma cruzi N-Acetyl-D-glucosaminylphosphatidylinositol de-N-acetylase, putative 0.0042 0.0057 0.0552
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0115 0.1109
Loa Loa (eye worm) histone deacetylase 3 0.0408 0.1037 1
Brugia malayi histone deacetylase 11 0.0164 0.0382 0.3685
Loa Loa (eye worm) histone deacetylase 7A 0.0317 0.0793 0.7646
Echinococcus granulosus cpg binding protein 0.0031 0.0027 0.0143
Loa Loa (eye worm) hypothetical protein 0.0038 0.0045 0.0435
Brugia malayi TAR-binding protein 0.0064 0.0115 0.1109
Schistosoma mansoni histone deacetylase 4 5 0.0317 0.0793 0.7646
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0105 0.1015
Toxoplasma gondii histone deacetylase HDAC3 0.0408 0.1037 1
Brugia malayi Histone deacetylase 1 0.0408 0.1037 1
Trypanosoma brucei UDP-galactose 4-epimerase 0.0046 0.0067 0.0647
Echinococcus multilocularis histone deacetylase 8 0.0164 0.0382 0.2044
Loa Loa (eye worm) histone deacetylase 0.0317 0.0793 0.7646
Loa Loa (eye worm) hypothetical protein 0.0038 0.0045 0.0435
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0092 0.0492
Echinococcus multilocularis histone deacetylase 1 0.0408 0.1037 0.5548
Plasmodium vivax N-acetylglucosaminylphosphatidylinositol deacetylase, putative 0.0042 0.0057 0.0123
Trypanosoma cruzi N-Acetyl-D-glucosaminylphosphatidylinositol de-N-acetylase, putative 0.0042 0.0057 0.0552
Trypanosoma cruzi UDP-galactose 4-epimerase 0.0048 0.0072 0.069
Loa Loa (eye worm) hypothetical protein 0.005 0.0079 0.0764
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0092 0.0492
Echinococcus granulosus histone deacetylase 0.0317 0.0793 0.4242
Loa Loa (eye worm) RNA binding protein 0.0064 0.0115 0.1109
Schistosoma mansoni UDP-glucose 4-epimerase 0.0048 0.0072 0.069
Trypanosoma brucei histone deacetylase, putative 0.0317 0.0793 0.7646
Toxoplasma gondii histone deacetylase HDAC4 0.0164 0.0382 0.3316
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0115 0.1109
Echinococcus granulosus histone deacetylase 6 0.0334 0.0837 0.448
Loa Loa (eye worm) hypothetical protein 0.005 0.0079 0.0764
Leishmania major histone deacetylase, putative 0.0317 0.0793 0.7646
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.005 0.0079 0.0079
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.005 0.0079 0.0079
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.005 0.0079 0.0022
Schistosoma mansoni hypothetical protein 0.0041 0.0054 0.0524
Trypanosoma cruzi histone deacetylase, putative 0.0317 0.0793 0.7646
Brugia malayi AMP-binding enzyme family protein 0.005 0.0079 0.0764
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0408 0.1037 1
Mycobacterium ulcerans acyl-CoA synthetase 0.005 0.0079 0.0079
Trypanosoma cruzi histone deacetylase, putative 0.0164 0.0382 0.3685
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0036 0.004 0.004
Brugia malayi Histone deacetylase family protein 0.0317 0.0793 0.7646
Echinococcus granulosus histone deacetylase 3 0.0408 0.1037 0.5548
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0092 0.0887
Schistosoma mansoni cellular tumor antigen P53 0.0105 0.0226 0.2179
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0408 0.1037 1
Mycobacterium ulcerans hypothetical protein 0.005 0.0079 0.0079
Brugia malayi RNA binding protein 0.0064 0.0115 0.1109
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.005 0.0079 0.0022
Trichomonas vaginalis glutaminase, putative 0.0276 0.0681 0.6571
Toxoplasma gondii histone deacetylase HDAC1 0.0317 0.0793 0.7509
Brugia malayi Histone deacetylase family protein 0.0317 0.0793 0.7646
Loa Loa (eye worm) glutaminase 2 0.0276 0.0681 0.6571
Loa Loa (eye worm) hypothetical protein 0.017 0.0399 0.3851
Trypanosoma brucei histone deacetylase 4 0.0317 0.0793 0.7646
Leishmania major 4-coumarate:coa ligase-like protein 0.005 0.0079 0.0764
Plasmodium vivax histone deacetylase 1, putative 0.0408 0.1037 1
Trypanosoma cruzi histone deacetylase 1, putative 0.0408 0.1037 1
Leishmania major 4-coumarate:coa ligase-like protein 0.005 0.0079 0.0764
Mycobacterium tuberculosis Conserved hypothetical protein 0.0042 0.0057 0.0058
Giardia lamblia Histone deacetylase 0.0408 0.1037 1
Leishmania major N-acetyl-D-acetylglucosaminylphosphatidylinositol deacetylase 0.0042 0.0057 0.0552
Entamoeba histolytica glucosamine-6-phosphate isomerase, putative 0.0042 0.0057 0.0552
Trichomonas vaginalis NAD dependent epimerase/dehydratase, putative 0.0048 0.0072 0.069
Echinococcus granulosus histone deacetylase 6 0.0317 0.0793 0.4242
Onchocerca volvulus 0.0105 0.0226 0.5605
Loa Loa (eye worm) hypothetical protein 0.0408 0.1037 1
Trypanosoma cruzi UDP-galactose 4-epimerase, putative 0.0048 0.0072 0.069
Plasmodium vivax histone deacetylase 2, putative 0.0317 0.0793 0.7539
Plasmodium falciparum histone deacetylase 2 0.0317 0.0793 0.7539
Trypanosoma brucei histone deacetylase 3 0.0317 0.0793 0.7646
Echinococcus granulosus histone deacetylase 1 0.0408 0.1037 0.5548
Trypanosoma cruzi histone deacetylase, putative 0.0317 0.0793 0.7646
Loa Loa (eye worm) UDP galactose 4'-epimerase 0.0048 0.0072 0.069
Leishmania major histone deacetylase, putative 0.0317 0.0793 0.7646
Trypanosoma cruzi histone deacetylase, putative 0.0317 0.0793 0.7646
Echinococcus multilocularis histone deacetylase 7 0.0317 0.0793 0.4242
Plasmodium vivax histone deacetylase, putative 0.0164 0.0382 0.3398
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0038 0.0045 0.5
Leishmania major histone deacetylase, putative 0.0408 0.1037 1
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0408 0.1037 1
Mycobacterium ulcerans mycothiol conjugate amidase Mca 0.3758 1 1
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0115 0.1109
Mycobacterium ulcerans glutaminase 0.0276 0.0681 0.0681
Entamoeba histolytica acyl-CoA synthetase, putative 0.005 0.0079 0.0764
Echinococcus multilocularis cpg binding protein 0.0031 0.0027 0.0143
Echinococcus granulosus tumor protein p63 0.0719 0.1869 1
Echinococcus granulosus tar DNA binding protein 0.0064 0.0115 0.0615
Loa Loa (eye worm) histone deacetylase 1 0.0408 0.1037 1
Schistosoma mansoni cpg binding protein 0.0031 0.0027 0.0258
Brugia malayi UDP galactose 4'-epimerase 0.0048 0.0072 0.069
Trichomonas vaginalis histone deacetylase, putative 0.0408 0.1037 1
Trichomonas vaginalis histone deacetylase, putative 0.0408 0.1037 1
Echinococcus granulosus histone deacetylase 6 0.0317 0.0793 0.4242
Leishmania major udp-glc 4-epimerase, putative 0.0046 0.0067 0.0647
Schistosoma mansoni histone deacetylase 4 5 0.0317 0.0793 0.7646
Loa Loa (eye worm) hypothetical protein 0.006 0.0105 0.1015
Schistosoma mansoni disco-interacting protein 2 (dip2) 0.0038 0.0045 0.043
Plasmodium vivax histone deacetylase, putative 0.0317 0.0793 0.7539
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.005 0.0079 0.008
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0038 0.0045 0.0046
Trypanosoma cruzi histone deacetylase 1, putative 0.0408 0.1037 1
Giardia lamblia UDP-glucose 4-epimerase 0.0046 0.0067 0.0647
Trichomonas vaginalis histone deacetylase, putative 0.0408 0.1037 1
Mycobacterium tuberculosis N-acetyl-1-D-myo-inosityl-2-amino-2-deoxy-alpha-D-glucopyranoside deacetylase MshB (GlcNAc-Ins deacetylase) 0.0042 0.0057 0.0058
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0092 0.0492
Toxoplasma gondii histone deacetylase HDAC2 0.0408 0.1037 1
Echinococcus multilocularis UDP glucose 4 epimerase 0.0048 0.0072 0.0383
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0042 0.0057 0.0552
Trypanosoma brucei histone deacetylase 1 0.0408 0.1037 1
Echinococcus multilocularis histone deacetylase 6 0.0334 0.0837 0.448
Schistosoma mansoni histone deacetylase 1 2 3 0.0164 0.0382 0.3685
Brugia malayi Uncharacterized LmbE-like protein, COG2120 containing protein 0.0042 0.0057 0.0552
Entamoeba histolytica UDP-glucose 4-epimerase, putative 0.0048 0.0072 0.069
Mycobacterium ulcerans fatty-acid-CoA ligase 0.005 0.0079 0.0079
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0092 0.0887
Brugia malayi CXXC zinc finger family protein 0.0031 0.0027 0.0258
Schistosoma mansoni cpg binding protein 0.0031 0.0027 0.0258
Toxoplasma gondii UDP-glucose 4-epimerase 0.0048 0.0072 0.0146
Loa Loa (eye worm) glutaminase 0.0276 0.0681 0.6571
Loa Loa (eye worm) hypothetical protein 0.0105 0.0226 0.2179
Echinococcus multilocularis tumor protein p63 0.0719 0.1869 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.0031 0.0027 0.0258
Echinococcus granulosus histone deacetylase 7 0.0317 0.0793 0.4242
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0038 0.0045 0.0045
Trypanosoma cruzi histone deacetylase, putative 0.0164 0.0382 0.3685
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.005 0.0079 0.0079
Loa Loa (eye worm) hypothetical protein 0.0041 0.0054 0.0524
Onchocerca volvulus Histone deacetylase 10 homolog 0.0164 0.0382 1
Loa Loa (eye worm) hypothetical protein 0.0164 0.0382 0.3685
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0092 0.0887
Echinococcus multilocularis tar DNA binding protein 0.0064 0.0115 0.0615
Entamoeba histolytica N-acetylglucosaminyl-phosphatidylinositol de-N-acetylase, putative 0.0042 0.0057 0.0552
Trichomonas vaginalis histone deacetylase, putative 0.0408 0.1037 1
Loa Loa (eye worm) hypothetical protein 0.005 0.0079 0.0764
Brugia malayi histone deacetylase 3 (HD3) 0.0408 0.1037 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0092 0.0887
Echinococcus granulosus histone deacetylase 8 0.0164 0.0382 0.2044
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0115 0.1109
Echinococcus multilocularis histone deacetylase 6 0.0317 0.0793 0.4242
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0092 0.0887
Echinococcus multilocularis histone deacetylase 0.0317 0.0793 0.4242
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0036 0.004 0.004
Giardia lamblia Glucosamine-6-phosphate isomerase, putative 0.0042 0.0057 0.0552
Echinococcus multilocularis N acetylglucosaminyl phosphatidylinositol 0.0042 0.0057 0.0306
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0064 0.0115 0.1109
Plasmodium falciparum histone deacetylase 1 0.0408 0.1037 1
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0115 0.1109
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0092 0.0492
Brugia malayi AMP-binding enzyme family protein 0.005 0.0079 0.0764
Toxoplasma gondii histone deacetylase HDAC5 0.0164 0.0382 0.3316
Onchocerca volvulus 0.0035 0.0039 0.0348
Onchocerca volvulus 0.005 0.0079 0.1477
Loa Loa (eye worm) hypothetical protein 0.0038 0.0045 0.0435
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0036 0.004 0.004
Loa Loa (eye worm) TAR-binding protein 0.0064 0.0115 0.1109
Leishmania major histone deacetylase, putative 0.0408 0.1037 1
Brugia malayi Disco-interacting protein 2 homolog 0.0035 0.0039 0.0377
Brugia malayi glutaminase DH11.1 0.0276 0.0681 0.6571
Trichomonas vaginalis UDP-glucose 4-epimerase, putative 0.0048 0.0072 0.069
Echinococcus granulosus N acetylglucosaminyl phosphatidylinositol 0.0042 0.0057 0.0306
Brugia malayi AMP-binding enzyme family protein 0.005 0.0079 0.0764
Echinococcus multilocularis histone deacetylase 3 0.0408 0.1037 0.5548
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0054 0.0524
Entamoeba histolytica acyl-coA synthetase, putative 0.005 0.0079 0.0764
Trichomonas vaginalis histone deacetylase, putative 0.0408 0.1037 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0105 0.1015
Echinococcus granulosus disco interacting protein 2 0.0038 0.0045 0.0239
Loa Loa (eye worm) hypothetical protein 0.0038 0.0045 0.0435
Echinococcus multilocularis disco interacting protein 2 0.0038 0.0045 0.0239
Echinococcus multilocularis histone deacetylase 6 0.0317 0.0793 0.4242
Echinococcus granulosus UDP glucose 4 epimerase 0.0048 0.0072 0.0383
Schistosoma mansoni cpg binding protein 0.0031 0.0027 0.0258
Entamoeba histolytica histone deacetylase, putative 0.0408 0.1037 1
Brugia malayi histone deacetylase 1 (HD1) 0.0408 0.1037 1
Plasmodium falciparum N-acetylglucosaminylphosphatidylinositol deacetylase, putative 0.0042 0.0057 0.0123
Schistosoma mansoni glutaminase 0.0276 0.0681 0.6571
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0105 0.1015
Schistosoma mansoni histone deacetylase hda2 0.0334 0.0837 0.8074
Loa Loa (eye worm) hypothetical protein 0.0038 0.0045 0.0435
Schistosoma mansoni histone deacetylase hda2 0.0164 0.0382 0.3685
Trichomonas vaginalis NAD dependent epimerase/dehydratase, putative 0.0048 0.0072 0.069
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0036 0.004 0.004
Trypanosoma brucei histone deacetylase 2 0.0164 0.0382 0.3685
Loa Loa (eye worm) hypothetical protein 0.0035 0.0039 0.0377
Trypanosoma brucei N-acetyl-D-glucosaminylphosphatidylinositol de-N-acetylase 0.0042 0.0057 0.0552
Loa Loa (eye worm) phosphatidylinositol glycan anchor biosynthesis protein 0.0042 0.0057 0.0552
Loa Loa (eye worm) hypothetical protein 0.0154 0.0355 0.3423
Loa Loa (eye worm) histone deacetylase 11 0.0164 0.0382 0.3685
Mycobacterium tuberculosis Mycothiol conjugate amidase Mca (mycothiol S-conjugate amidase) 0.3715 0.9887 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.005 0.0079 0.008
Schistosoma mansoni N-acetylglucosaminyl-phosphatidylinositol de-n-acetylase 0.0042 0.0057 0.0552
Leishmania major 4-coumarate:coa ligase-like protein 0.005 0.0079 0.0764
Trichomonas vaginalis histone deacetylase, putative 0.0408 0.1037 1
Toxoplasma gondii hypothetical protein 0.0078 0.0153 0.0974
Schistosoma mansoni histone deacetylase 0.0408 0.1037 1
Mycobacterium ulcerans acyl-CoA synthetase 0.005 0.0079 0.0079
Mycobacterium ulcerans acyl-CoA synthetase 0.005 0.0079 0.0079
Schistosoma mansoni histone deacetylase 0.0408 0.1037 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.005 0.0079 0.0764

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.9362 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) 3.5481 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) 8.9125 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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.
 
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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