Detailed information for compound 1329933

Basic information

Technical information
  • TDR Targets ID: 1329933
  • Name: [2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl) amino]-2-oxoethyl] 3-(2-chloro-6-fluorophenyl )-5-methyl-1,2-oxazole-4-carboxylate
  • MW: 498.891 | Formula: C24H20ClFN4O5
  • H donors: 1 H acceptors: 4 LogP: 4.19 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1c(=O)n(n(c1C)C)c1ccccc1)COC(=O)c1c(C)onc1c1c(F)cccc1Cl
  • InChi: 1S/C24H20ClFN4O5/c1-13-21(23(32)30(29(13)3)15-8-5-4-6-9-15)27-18(31)12-34-24(33)19-14(2)35-28-22(19)20-16(25)10-7-11-17(20)26/h4-11H,12H2,1-3H3,(H,27,31)
  • InChiKey: YRQVJJFVUKGBHQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [2-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-2-oxo-ethyl] 3-(2-chloro-6-fluoro-phenyl)-5-methyl-isoxazole-4-carboxylate
  • 3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolecarboxylic acid [2-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-2-oxoethyl] ester
  • 3-(2-chloro-6-fluoro-phenyl)-5-methyl-isoxazole-4-carboxylic acid [2-keto-2-[(3-keto-1,5-dimethyl-2-phenyl-pyrazol-4-yl)amino]ethyl] ester
  • [2-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-2-oxo-ethyl] 3-(2-chloro-6-fluoro-phenyl)-5-methyl-1,2-oxazole-4-carboxylate
  • T0515-6186
  • MLS000098382
  • SMR000062660
  • Oprea1_778496
  • MLS000881047
  • MLS001074796
  • ZINC03303151

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor 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_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0266 0.2811
Loa Loa (eye worm) hypothetical protein 0.0077 0.2855 0.3277
Loa Loa (eye worm) hypothetical protein 0.0035 0.0947 0.1088
Loa Loa (eye worm) cytochrome P450 family protein 0.0015 0.0081 0.0093
Mycobacterium ulcerans DNA polymerase IV 0.0021 0.0337 0.2282
Trypanosoma brucei ISWI complex protein 0.0031 0.077 0.7645
Entamoeba histolytica acyl-coA synthetase, putative 0.0047 0.1475 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0337 0.3345
Schistosoma mansoni hypothetical protein 0.0019 0.0242 0.0313
Onchocerca volvulus 0.003 0.0724 0.0724
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0064 0.2266 0.2932
Loa Loa (eye worm) MH2 domain-containing protein 0.0118 0.4697 0.5392
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0021 0.0337 0.0337
Loa Loa (eye worm) PHD-finger family protein 0.0042 0.1252 0.1437
Leishmania major alpha glucosidase II subunit, putative 0.0036 0.1007 0.6822
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0047 0.1475 1
Plasmodium vivax acyl-CoA synthetase, putative 0.0035 0.0947 1
Schistosoma mansoni hypothetical protein 0.0041 0.1235 0.1598
Entamoeba histolytica exodeoxyribonuclease III, putative 0.002 0.0266 0.1805
Schistosoma mansoni ap endonuclease 0.002 0.0266 0.0345
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0047 0.1475 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0144 0.5861 0.7584
Onchocerca volvulus 0.0047 0.1475 0.1475
Echinococcus granulosus fetal alzheimer antigen falz 0.0045 0.1424 0.1843
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0036 0.1007 0.1155
Schistosoma mansoni zinc finger protein 0.0039 0.1156 0.1496
Loa Loa (eye worm) hypothetical protein 0.0019 0.0242 0.0278
Schistosoma mansoni methyl-cpg binding protein mbd 0.0034 0.0928 0.1201
Mycobacterium ulcerans acyl-CoA synthetase 0.0047 0.1475 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0724 0.0937
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.1007 0.1007
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0242 0.0313
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0033 0.0862 0.5844
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0047 0.1475 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0064 0.2266 0.2932
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.1007 0.1007
Schistosoma mansoni hypothetical protein 0.0019 0.0242 0.0313
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0675 0.0874
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0036 0.1007 0.1007
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0144 0.5861 0.6728
Echinococcus multilocularis neutral alpha glucosidase AB 0.0036 0.1007 0.1303
Echinococcus multilocularis dna polymerase eta 0.0021 0.0337 0.0436
Loa Loa (eye worm) hypothetical protein 0.0086 0.3242 0.3721
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0337 0.3345
Mycobacterium ulcerans acyl-CoA synthetase 0.0047 0.1475 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.0266 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0337 0.3345
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0047 0.1475 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.2091 0.24
Echinococcus multilocularis dna polymerase kappa 0.0021 0.0337 0.0436
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.002 0.0266 0.1805
Mycobacterium ulcerans DNA polymerase IV 0.0021 0.0337 0.2282
Leishmania major hypothetical protein, conserved 0.0031 0.077 0.5216
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0266 0.0345
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0337 0.3345
Loa Loa (eye worm) cytochrome P450 family protein 0.0015 0.0081 0.0093
Echinococcus granulosus lysosomal alpha glucosidase 0.0163 0.6687 0.8653
Trypanosoma brucei cytochrome P450, putative 0.0015 0.0081 0.0808
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0337 0.3345
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0242 0.0313
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.012 0.4783 0.6189
Schistosoma mansoni hypothetical protein 0.0186 0.7728 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.1007 0.1007
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.0042 0.0416
Schistosoma mansoni hypothetical protein 0.0042 0.1252 0.162
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.002 0.0266 0.1805
Loa Loa (eye worm) bromodomain containing protein 0.0036 0.0984 0.1129
Loa Loa (eye worm) transcription factor SMAD2 0.0118 0.4697 0.5392
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0021 0.0337 0.0436
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0033 0.0862 0.5844
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.1235 0.1418
Brugia malayi Cytochrome P450 family protein 0.0026 0.0534 0.0613
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0021 0.0337 0.2282
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.0042 0.0416
Brugia malayi Cytochrome P450 family protein 0.0015 0.0081 0.0093
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0021 0.0337 0.0436
Brugia malayi ImpB/MucB/SamB family protein 0.0021 0.0337 0.0386
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.002 0.0266 0.2646
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0337 0.3345
Leishmania major cytochrome p450-like protein 0.0015 0.0081 0.0551
Loa Loa (eye worm) hypothetical protein 0.0035 0.0947 0.1088
Loa Loa (eye worm) hypothetical protein 0.0035 0.0947 0.1088
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0015 0.0081 0.0551
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0337 0.3345
Leishmania major DNA polymerase eta, putative 0.0021 0.0337 0.2282
Brugia malayi PHD-finger family protein 0.005 0.1638 0.1881
Trypanosoma cruzi cytochrome P450, putative 0.0015 0.0081 0.0808
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0266 0.2811
Schistosoma mansoni zinc finger protein 0.0031 0.077 0.0996
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0035 0.0947 0.6421
Echinococcus granulosus neutral alpha glucosidase AB 0.0036 0.1007 0.1303
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0035 0.0947 0.5
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0034 0.0928 0.1201
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.1007 0.1007
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0337 0.3345
Brugia malayi Pre-SET motif family protein 0.003 0.0724 0.0831
Brugia malayi Bromodomain containing protein 0.0077 0.2849 0.327
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.0042 0.0416
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0036 0.1007 0.1007
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0242 0.0278
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0064 0.2266 0.2932
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0045 0.1424 0.1843
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.012 0.4783 0.6189
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0163 0.6687 0.7675
Brugia malayi Pre-SET motif family protein 0.0208 0.8712 1
Schistosoma mansoni hypothetical protein 0.0019 0.0242 0.0313
Loa Loa (eye worm) hypothetical protein 0.0082 0.3069 0.3523
Brugia malayi ImpB/MucB/SamB family protein 0.0021 0.0337 0.0386
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0724 0.0937
Trypanosoma cruzi cytochrome P450, putative 0.0015 0.0081 0.0808
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0036 0.1007 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0047 0.1475 1
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0047 0.1475 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0266 0.0345
Schistosoma mansoni ap endonuclease 0.002 0.0266 0.0345
Brugia malayi Bromodomain containing protein 0.0151 0.6166 0.7078
Echinococcus granulosus dna polymerase eta 0.0021 0.0337 0.0436
Loa Loa (eye worm) hypothetical protein 0.0035 0.0947 0.1088
Leishmania major 4-coumarate:coa ligase-like protein 0.0047 0.1475 1
Echinococcus multilocularis zinc finger protein 0.0039 0.1156 0.1496
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0337 0.3345
Brugia malayi AMP-binding enzyme family protein 0.0047 0.1475 0.1694
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0724 0.0937
Trypanosoma brucei DNA polymerase eta, putative 0.0021 0.0337 0.3345
Loa Loa (eye worm) hypothetical protein 0.0021 0.0337 0.0386
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0021 0.0337 0.0436
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.2635 0.3409
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0337 0.3345
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0144 0.5861 0.7584
Schistosoma mansoni methyl-cpg binding protein mbd 0.0034 0.0928 0.1201
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.002 0.0266 0.1805
Mycobacterium tuberculosis Conserved hypothetical protein 0.0021 0.0337 0.2282
Trichomonas vaginalis set domain proteins, putative 0.0236 1 1
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0242 0.0278
Giardia lamblia DINP protein human, muc B family 0.0021 0.0337 1
Brugia malayi AMP-binding enzyme family protein 0.0047 0.1475 0.1694
Echinococcus granulosus geminin 0.0186 0.7728 1
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.1007 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0242 0.0278
Trypanosoma brucei unspecified product 0.0015 0.0042 0.0416
Schistosoma mansoni DNA polymerase eta 0.0021 0.0337 0.0436
Trypanosoma cruzi DNA polymerase eta, putative 0.0021 0.0337 0.3345
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0266 0.0266
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0144 0.5861 0.7584
Echinococcus granulosus dna polymerase kappa 0.0021 0.0337 0.0436
Echinococcus multilocularis lysosomal alpha glucosidase 0.0163 0.6687 0.8653
Leishmania major 4-coumarate:coa ligase-like protein 0.0047 0.1475 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0047 0.1475 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.002 0.0266 0.2646
Loa Loa (eye worm) hypothetical protein 0.0035 0.0947 0.1088
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0045 0.1424 0.1843
Echinococcus granulosus zinc finger protein 0.0039 0.1156 0.1496
Schistosoma mansoni alpha-glucosidase 0.014 0.567 0.7337
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.1007 0.1007
Loa Loa (eye worm) cytochrome P450 family protein 0.0026 0.0534 0.0613
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0724 0.7195
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0144 0.5861 0.6728
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0036 0.1007 0.6822
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.1007 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0035 0.0947 0.6421
Echinococcus granulosus methyl CpG binding domain protein 2 0.0034 0.0928 0.1201
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0337 0.3345
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.2091 0.24
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0144 0.5861 0.7584
Loa Loa (eye worm) hypothetical protein 0.0047 0.1475 0.1694
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0036 0.1007 0.6822
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0064 0.2266 0.2932
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0047 0.1475 1
Schistosoma mansoni hypothetical protein 0.0031 0.077 0.0996
Brugia malayi AMP-binding enzyme family protein 0.0047 0.1475 0.1694
Loa Loa (eye worm) CYP4Cod1 0.0015 0.0081 0.0093
Trypanosoma cruzi ISWI complex protein 0.0031 0.077 0.7645
Loa Loa (eye worm) hypothetical protein 0.0142 0.5779 0.6634
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0208 0.8712 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0266 0.0306
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0337 0.3345
Schistosoma mansoni alpha-glucosidase 0.014 0.567 0.7337
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0144 0.5861 0.7584
Brugia malayi Glycosyl hydrolases family 31 protein 0.0163 0.6687 0.7675
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0033 0.0862 0.5844
Echinococcus granulosus GPCR family 2 0.0019 0.0242 0.0313
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0047 0.1475 1
Trichomonas vaginalis maltase-glucoamylase, putative 0.0036 0.1007 0.1007
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0266 0.0266
Toxoplasma gondii exonuclease III APE 0.002 0.0266 0.2646
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0047 0.1475 1
Plasmodium vivax SET domain protein, putative 0.003 0.0724 0.7644
Leishmania major DNA polymerase kappa, putative 0.0021 0.0337 0.2282
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0242 0.0313
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0.0266 0.5
Loa Loa (eye worm) hypothetical protein 0.0064 0.2266 0.2601
Mycobacterium ulcerans hypothetical protein 0.0047 0.1475 1
Trypanosoma brucei glucosidase, putative 0.0036 0.1007 1
Loa Loa (eye worm) hypothetical protein 0.0047 0.1475 0.1694
Echinococcus multilocularis lysosomal alpha glucosidase 0.0163 0.6687 0.8653
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0337 0.3345
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0337 0.3345
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.002 0.0266 0.2646
Entamoeba histolytica deoxycytidyl transferase, putative 0.0021 0.0337 0.2282
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0144 0.5861 0.7584
Brugia malayi MH2 domain containing protein 0.0118 0.4697 0.5392
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0021 0.0337 0.2282
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0033 0.0862 0.5844
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0337 0.3345
Loa Loa (eye worm) hypothetical protein 0.0041 0.1235 0.1418
Brugia malayi Glycosyl hydrolases family 31 protein 0.0036 0.1007 0.1155
Schistosoma mansoni hypothetical protein 0.0019 0.0242 0.0313
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.2635 0.3409
Echinococcus multilocularis geminin 0.0186 0.7728 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0047 0.1475 1
Schistosoma mansoni bromodomain containing protein 0.0127 0.5107 0.6608
Trichomonas vaginalis DNA polymerase eta, putative 0.0021 0.0337 0.0337
Brugia malayi Cytochrome P450 family protein 0.0015 0.0081 0.0093
Loa Loa (eye worm) hypothetical protein 0.0047 0.1475 0.1694
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0337 0.3345
Schistosoma mansoni alpha glucosidase 0.0036 0.1007 0.1303
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0337 0.3345
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0144 0.5861 0.7584
Loa Loa (eye worm) hypothetical protein 0.006 0.2091 0.24
Schistosoma mansoni terminal deoxycytidyl transferase 0.0021 0.0337 0.0436
Trypanosoma cruzi ISWI complex protein 0.0031 0.077 0.7645
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.2091 0.24
Echinococcus multilocularis GPCR, family 2 0.0019 0.0242 0.0313
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0266 0.0306
Trichomonas vaginalis sucrase-isomaltase, putative 0.0036 0.1007 0.1007
Plasmodium falciparum acyl-CoA synthetase 0.0035 0.0947 1
Schistosoma mansoni hypothetical protein 0.0186 0.7728 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0047 0.1475 1
Onchocerca volvulus 0.0094 0.3609 0.3609
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0021 0.0337 0.0386
Trypanosoma brucei unspecified product 0.0015 0.0042 0.0416
Trypanosoma brucei unspecified product 0.0021 0.0337 0.3345
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0242 0.0313

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.7079 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10.4179 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) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.6891 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 23.1093 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) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 63.0957 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] 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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