Detailed information for compound 1231762

Basic information

Technical information
  • TDR Targets ID: 1231762
  • Name: N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]m ethyl]-3,5-dinitro-N-propylbenzamide
  • MW: 445.813 | Formula: C19H16ClN5O6
  • H donors: 0 H acceptors: 7 LogP: 3.58 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCN(C(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])Cc1nnc(o1)c1ccccc1Cl
  • InChi: 1S/C19H16ClN5O6/c1-2-7-23(11-17-21-22-18(31-17)15-5-3-4-6-16(15)20)19(26)12-8-13(24(27)28)10-14(9-12)25(29)30/h3-6,8-10H,2,7,11H2,1H3
  • InChiKey: ITTORTKRIXSDMR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3,5-dinitro-N-propyl-benzamide
  • MLS000877988
  • SMR000376953
  • T5295611

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Homo sapiens muscleblind-like splicing regulator 1 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) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0012 0.0019 0.00000000014923
Trichomonas vaginalis set domain proteins, putative 0.0567 0.669 1
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.0296 0.0414
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0035 0.0296 0.2072
Loa Loa (eye worm) 6-phosphofructokinase 0.0129 0.1427 0.2409
Brugia malayi 6-phosphofructokinase 0.0129 0.1427 0.2409
Schistosoma mansoni chromobox protein-related (chromobox 1) (heterochromatin 1) 0.0012 0.0019 0.0135
Trichomonas vaginalis 6-phosphofructokinase, putative 0.0035 0.0296 0.0414
Echinococcus multilocularis Glycoside hydrolase, family 27 0.0106 0.1156 0.1139
Trichomonas vaginalis flap endonuclease-1, putative 0.0031 0.0252 0.035
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0035 0.0296 0.5
Giardia lamblia Flap structure-specific endonuclease 0.0031 0.0252 0.7559
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.0296 0.0414
Brugia malayi CHD4 protein 0.0012 0.0019 0.00000000017035
Toxoplasma gondii phosphofructokinase domain-containing protein 0.0035 0.0296 0.2559
Toxoplasma gondii 6-phosphofructokinase 0.0035 0.0296 0.2559
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0109 0.1189 0.833
Entamoeba histolytica hypothetical protein 0.0012 0.0019 0.0135
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.002 0.0118 0.0099
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0031 0.0252 0.051
Leishmania major ATP-dependent phosphofructokinase 0.0129 0.1427 1
Schistosoma mansoni 6-phosphofructokinase 0.0129 0.1427 1
Entamoeba histolytica chromodomain-helicase-DNA-binding protein, putative 0.0012 0.0019 0.0135
Brugia malayi Flap endonuclease-1 0.0031 0.0252 0.0399
Echinococcus multilocularis flap endonuclease 1 0.0031 0.0252 0.0234
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0031 0.0252 0.051
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0072 0.0735 0.5153
Loa Loa (eye worm) CHromoDomain protein family member 0.0012 0.0019 0.00000000017035
Trichomonas vaginalis chromobox protein, putative 0.0072 0.0747 0.1091
Echinococcus granulosus chromobox protein 1 0.0072 0.0747 0.3595
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.0296 0.0414
Echinococcus multilocularis Chromobox protein 3 0.0012 0.0019 0.00000003603
Trichomonas vaginalis DNA helicase recq, putative 0.0026 0.0189 0.0255
Schistosoma mansoni hypothetical protein 0.0019 0.0104 0.0732
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.0296 0.0414
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.0296 0.0414
Schistosoma mansoni hypothetical protein 0.0019 0.0104 0.0732
Trichomonas vaginalis phosphofructokinase, putative 0.0129 0.1427 0.2111
Echinococcus granulosus bloom syndrome protein 0.0049 0.0462 0.2186
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0072 0.0735 0.0718
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0012 0.0019 0.00000000014923
Entamoeba histolytica hypothetical protein 0.0012 0.0019 0.0135
Brugia malayi chromobox protein homolog 3 0.0041 0.0365 0.0591
Entamoeba histolytica hypothetical protein 0.0012 0.0019 0.0135
Trichomonas vaginalis phosphofructokinase, putative 0.0129 0.1427 0.2111
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0083 0.0878 0.6151
Loa Loa (eye worm) hypothetical protein 0.0041 0.0368 0.0597
Trichomonas vaginalis chromobox protein, putative 0.0044 0.0402 0.0573
Echinococcus granulosus GPCR family 2 0.0019 0.0104 0.0421
Loa Loa (eye worm) ATP-dependent DNA helicase 0.002 0.0118 0.017
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0015 0.0058 0.0406
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0072 0.0735 0.6364
Schistosoma mansoni hypothetical protein 0.0019 0.0104 0.0732
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0499 0.5863 1
Echinococcus granulosus flap endonuclease 1 0.0031 0.0252 0.1152
Trichomonas vaginalis chromobox protein, putative 0.0072 0.0747 0.1091
Echinococcus granulosus chromodomain helicase DNA binding protein 1 0.0012 0.0019 0.00000000049189
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0109 0.1189 0.578
Schistosoma mansoni chromobox protein-related (chromobox 1) (heterochromatin 1) 0.0012 0.0019 0.0135
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0104 0.0146
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0104 0.0146
Brugia malayi SET domain containing protein 0.0014 0.0051 0.0054
Mycobacterium ulcerans 6-phosphofructokinase 0.0129 0.1427 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0072 0.0735 0.5153
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0033 0.0272 0.3533
Loa Loa (eye worm) hypothetical protein 0.0071 0.073 0.1216
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0071 0.073 0.5112
Echinococcus granulosus chromobox protein 1 0.0072 0.0747 0.3595
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0129 0.1427 0.5
Loa Loa (eye worm) hypothetical protein 0.0032 0.0259 0.041
Schistosoma mansoni flap endonuclease-1 0.0028 0.0216 0.1516
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.0296 0.0414
Onchocerca volvulus 0.0032 0.0259 0.036
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0109 0.1189 0.833
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0035 0.0296 0.7444
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.002 0.0118 0.0099
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0012 0.0019 0.00000000014923
Brugia malayi hypothetical protein 0.0166 0.1864 0.3158
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0129 0.1427 1
Echinococcus granulosus 6 phosphofructokinase 0.0129 0.1427 0.6957
Entamoeba histolytica phosphofructokinase, putative 0.0129 0.1427 1
Loa Loa (eye worm) hypothetical protein 0.0245 0.2821 0.4794
Toxoplasma gondii chromodomain helicase DNA binding protein CHD1/SWI2/SNF2 0.0012 0.0019 0.0167
Entamoeba histolytica pyrophosphate-dependent phosphofructokinase 0.0035 0.0296 0.2072
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0012 0.0019 0.0135
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative 0.0071 0.073 0.1065
Schistosoma mansoni chromobox protein 0.0012 0.0019 0.0135
Echinococcus granulosus chromodomain helicase DNA binding protein 4 0.0012 0.0019 0.00000000049189
Echinococcus granulosus ATP dependent DNA helicase Q5 0.002 0.0118 0.0489
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0104 0.0085
Echinococcus multilocularis chromodomain helicase DNA binding protein 1 0.0012 0.0019 0.000000000099731
Echinococcus multilocularis 6 phosphofructokinase 0.0129 0.1427 0.1411
Trichomonas vaginalis DNA helicase recq, putative 0.0049 0.0462 0.0663
Plasmodium vivax 6-phosphofructokinase, putative 0.0035 0.0296 0.386
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0043 0.0391 1
Echinococcus multilocularis GPCR, family 2 0.0019 0.0104 0.0085
Onchocerca volvulus 0.0166 0.1864 0.2766
Echinococcus granulosus ATP dependent DNA helicase Q1 0.002 0.0118 0.0489
Onchocerca volvulus 0.0012 0.0019 0.000000053913
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0031 0.0252 0.051
Entamoeba histolytica chromodomain-helicase-DNA-binding protein, putative 0.0012 0.0019 0.0135
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0596 0.0987
Brugia malayi Muscleblind-like protein 0.018 0.2043 0.3463
Echinococcus multilocularis chromobox protein 1 0.0072 0.0747 0.0729
Plasmodium vivax hypothetical protein, conserved 0.0012 0.0019 0.0000000013899
Toxoplasma gondii melibiase subfamily protein 0.0106 0.1156 1
Schistosoma mansoni hypothetical protein 0.0012 0.0019 0.0135
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0106 0.1156 0.8097
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.002 0.0118 0.1024
Loa Loa (eye worm) phosphofructokinase 0.0129 0.1427 0.2409
Trichomonas vaginalis phosphofructokinase, putative 0.0129 0.1427 0.2111
Echinococcus granulosus Chromo domain 0.0012 0.0019 0.00000000049189
Schistosoma mansoni chromobox protein 0.0012 0.0019 0.0135
Echinococcus multilocularis chromobox protein 1 0.0072 0.0747 0.0729
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.002 0.0118 0.017
Loa Loa (eye worm) hypothetical protein 0.0041 0.0365 0.0591
Echinococcus multilocularis muscleblind protein 1 0.018 0.2043 0.2028
Schistosoma mansoni 6-phosphofructokinase 0.0129 0.1427 1
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.002 0.0118 0.017
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0596 0.0987
Schistosoma mansoni hypothetical protein 0.0041 0.0368 0.2581
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0106 0.1156 0.8097
Echinococcus multilocularis chromodomain helicase DNA binding protein 4 0.0012 0.0019 0.000000000099731
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0104 0.0421
Onchocerca volvulus 0.0083 0.0878 0.1287
Plasmodium falciparum flap endonuclease 1 0.0031 0.0252 0.6278
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0109 0.1189 0.833
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0033 0.0268 0.2316
Brugia malayi Melibiase family protein 0.0071 0.073 0.1216
Trichomonas vaginalis chromobox protein, putative 0.0044 0.0402 0.0573
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0012 0.0019 0.00000000014923
Brugia malayi phosphofructokinase 0.0129 0.1427 0.2409
Plasmodium vivax 6-phosphofructokinase, putative 0.0035 0.0296 0.386
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0104 0.0085
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0072 0.0735 0.5153
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0104 0.0421
Loa Loa (eye worm) hypothetical protein 0.006 0.0596 0.0987
Toxoplasma gondii Alpha-galactosidase 0.0015 0.0058 0.0501
Giardia lamblia Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit 0.0035 0.0296 1
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0365 0.0518
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0012 0.0019 0.00000000014923
Entamoeba histolytica Flap nuclease, putative 0.0031 0.0252 0.1769
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.0222 0.0304
Brugia malayi Associated with TFs and helicases family protein 0.0012 0.0019 0.00000000017035
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0365 0.0518
Loa Loa (eye worm) hypothetical protein 0.0072 0.0735 0.1226
Echinococcus multilocularis Chromo domain 0.0012 0.0019 0.000000000099731
Echinococcus granulosus Chromobox protein 3 0.0012 0.0019 0.00000017771
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.0222 0.0304
Echinococcus multilocularis muscleblind protein 0.018 0.2043 0.2028
Trichomonas vaginalis DNA helicase recq1, putative 0.0049 0.0462 0.0663
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0129 0.1427 1
Schistosoma mansoni DNA helicase recq5 0.002 0.0118 0.0829
Toxoplasma gondii phosphofructokinase PFKII 0.0035 0.0296 0.2559
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.002 0.0118 0.1024
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0012 0.0019 0.00000000014923
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0106 0.1156 0.8097
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0109 0.1189 0.1172
Brugia malayi Pre-SET motif family protein 0.0499 0.5863 1
Loa Loa (eye worm) hypothetical protein 0.018 0.2043 0.3463
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0012 0.0019 0.00000000014923
Brugia malayi Bloom's syndrome protein homolog 0.0049 0.0462 0.0757
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0596 0.0987
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0072 0.0735 0.0718
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0041 0.0365 0.0518
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0109 0.1189 0.2002
Brugia malayi Heterochromatin protein 1 0.0072 0.0747 0.1245
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0044 0.0402 0.0573
Schistosoma mansoni chromobox protein 0.0072 0.0747 0.5232
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0109 0.1189 0.2002
Echinococcus granulosus histone lysine methyltransferase setb 0.0072 0.0735 0.3539
Loa Loa (eye worm) 6-phosphofructokinase 0.0129 0.1427 0.2409
Toxoplasma gondii 'chromo' (CHRromatin Organization MOdifier) domain-containing protein 0.0012 0.0019 0.0167
Brugia malayi Pre-SET motif family protein 0.0072 0.0735 0.1226
Brugia malayi Type III restriction enzyme, res subunit family protein 0.0012 0.0019 0.00000000017035
Loa Loa (eye worm) hypothetical protein 0.018 0.2043 0.3463
Plasmodium vivax SET domain protein, putative 0.0072 0.0735 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0069 0.0704 0.3383
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0035 0.0296 0.7444
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0129 0.1427 0.5
Schistosoma mansoni blooms syndrome DNA helicase 0.0038 0.0339 0.2373
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0031 0.0252 0.2185
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0012 0.0019 0.00000000014923
Loa Loa (eye worm) hypothetical protein 0.0166 0.1864 0.3158
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.002 0.0118 0.2667
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0012 0.0019 0.00000000014923
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.0106 0.1156 0.5615
Schistosoma mansoni DNA helicase recq1 0.002 0.0118 0.0829
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0035 0.0296 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0109 0.1189 0.1172
Plasmodium falciparum chromodomain-helicase-DNA-binding protein 1 homolog, putative 0.0012 0.0019 0.00000000268
Toxoplasma gondii 'chromo' (CHRromatin Organization MOdifier) domain-containing protein 0.0012 0.0019 0.0167
Schistosoma mansoni hypothetical protein 0.0019 0.0104 0.0732
Trichomonas vaginalis phosphofructokinase, putative 0.0129 0.1427 0.2111
Entamoeba histolytica phosphofructokinase, putative 0.0129 0.1427 1
Brugia malayi 6-phosphofructokinase 0.0129 0.1427 0.2409
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0104 0.0146
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0012 0.0019 0.00000000014923
Echinococcus multilocularis bloom syndrome protein 0.0049 0.0462 0.0443
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0071 0.073 0.5112
Entamoeba histolytica recQ family helicase, putative 0.0026 0.0189 0.1327
Loa Loa (eye worm) heterochromatin protein 1 0.0072 0.0747 0.1245
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0109 0.1189 0.578
Loa Loa (eye worm) hypothetical protein 0.0012 0.0019 0.00000000017035
Loa Loa (eye worm) flap endonuclease-1 0.0031 0.0252 0.0399
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0012 0.0019 0.0135
Entamoeba histolytica chromodomain-helicase-DNA-binding protein, putative 0.0012 0.0019 0.0135
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0129 0.1427 1
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0368 0.0597
Plasmodium vivax flap endonuclease 1, putative 0.0031 0.0252 0.3256
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0012 0.0019 0.00000000014923
Onchocerca volvulus 0.0567 0.669 1
Schistosoma mansoni chromobox protein 0.0072 0.0747 0.5232
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0012 0.0019 0.00000000014923
Loa Loa (eye worm) hypothetical protein 0.002 0.0118 0.017
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.0106 0.1156 0.1139
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0012 0.0019 0.00000000014923
Loa Loa (eye worm) RecQ helicase 0.0049 0.0462 0.0757
Loa Loa (eye worm) hypothetical protein 0.0019 0.0104 0.0146
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0106 0.1156 0.8097
Echinococcus granulosus muscleblind protein 0.018 0.2043 1
Entamoeba histolytica phosphofructokinase, putative 0.0129 0.1427 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 5.8584 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) 7.3753 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) 10 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) 11.2202 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) = 89.1251 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (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.
 
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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.