Detailed information for compound 1355000

Basic information

Technical information
  • TDR Targets ID: 1355000
  • Name: BAS 04995719
  • MW: 388.423 | Formula: C21H20N6O2
  • H donors: 1 H acceptors: 3 LogP: 0.68 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCn1c(=N)c(cc2c1nc1c(C)cccn1c2=O)C(=O)NCc1cccnc1
  • InChi: 1S/C21H20N6O2/c1-3-26-17(22)15(20(28)24-12-14-7-4-8-23-11-14)10-16-19(26)25-18-13(2)6-5-9-27(18)21(16)29/h4-11,22H,3,12H2,1-2H3,(H,24,28)
  • InChiKey: FVJHYRZDZRVYDT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-Ethyl-2-imino-8-methyl-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carboxylic acid (pyridin-3-ylmethyl)-amide
  • SMR000013125
  • ST5073628
  • MLS000073180

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific demethylase 4E Starlite/ChEMBL No references
Equus caballus Ferritin light chain Starlite/ChEMBL No references
Homo sapiens caspase 7, apoptosis-related cysteine peptidase Starlite/ChEMBL No references
Homo sapiens caspase 1, apoptosis-related cysteine peptidase Starlite/ChEMBL No references
Homo sapiens glucosidase, alpha Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens hydroxysteroid (17-beta) dehydrogenase 10 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
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase Get druggable targets OG5_129031 All targets in OG5_129031
Cryptosporidium hominis scully CG7113-PA Get druggable targets OG5_129031 All targets in OG5_129031
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma japonicum ko:K00022 3-hydroxyacyl-CoA dehydrogenase [EC1.1.1.35], putative Get druggable targets OG5_129031 All targets in OG5_129031
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase Get druggable targets OG5_129031 All targets in OG5_129031
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 Get druggable targets OG5_129031 All targets in OG5_129031
Echinococcus granulosus lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II Get druggable targets OG5_129031 All targets in OG5_129031
Echinococcus multilocularis caspase 3, apoptosis cysteine peptidase Get druggable targets OG5_130238 All targets in OG5_130238
Echinococcus granulosus caspase 3 Get druggable targets OG5_130238 All targets in OG5_130238
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Leishmania braziliensis 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Schistosoma japonicum ko:K02187 caspase 3, apoptosis-related cysteine protease, putative Get druggable targets OG5_130238 All targets in OG5_130238
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II Get druggable targets OG5_129031 All targets in OG5_129031
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis caspase Get druggable targets OG5_130238 All targets in OG5_130238
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Brugia malayi Glycosyl hydrolases family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Onchocerca volvulus Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni caspase-3 (C14 family) Get druggable targets OG5_130238 All targets in OG5_130238
Schistosoma mansoni caspase-7 (C14 family) Get druggable targets OG5_130238 All targets in OG5_130238
Schistosoma japonicum ko:K01187 alpha-glucosidase [EC3.2.1.20], putative Get druggable targets OG5_127055 All targets in OG5_127055
Mycobacterium ulcerans short-chain type dehydrogenase/reductase Get druggable targets OG5_129031 All targets in OG5_129031
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus granulosus caspase 3 apoptosis cysteine peptidase Get druggable targets OG5_130238 All targets in OG5_130238
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum Lysosomal alpha-glucosidase precursor, putative Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) glycosyl hydrolase family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Mycobacterium ulcerans short-chain type dehydrogenase/reductase Get druggable targets OG5_129031 All targets in OG5_129031
Echinococcus granulosus caspase Get druggable targets OG5_130238 All targets in OG5_130238
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Leishmania infantum 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Schistosoma japonicum ko:K04397 caspase 7, apoptosis-related cysteine protease, putative Get druggable targets OG5_130238 All targets in OG5_130238
Leishmania mexicana 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 Get druggable targets OG5_129031 All targets in OG5_129031
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis caspase 3 Get druggable targets OG5_130238 All targets in OG5_130238
Leishmania donovani 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Cryptosporidium parvum scully CG7113-PA, putative Get druggable targets OG5_129031 All targets in OG5_129031
Echinococcus multilocularis muscleblind protein 1 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
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
Plasmodium falciparum 3-oxoacyl-[acyl-carrier-protein] reductase hydroxysteroid (17-beta) dehydrogenase 10 252 aa 251 aa 24.7 %
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Brugia malayi Cell death protein 3 precursor caspase 7, apoptosis-related cysteine peptidase 303 aa 256 aa 37.1 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Echinococcus granulosus caspase 8 caspase 1, apoptosis-related cysteine peptidase 383 aa 312 aa 26.6 %
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Onchocerca volvulus Cell death protein 3 homolog 0.0103 0.2455 0.2261
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0053 0.0403 0.0403
Schistosoma mansoni caspase-7 (C14 family) 0.0141 0.4026 0.5112
Schistosoma mansoni caspase-3 (C14 family) 0.0141 0.4026 0.5112
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0053 0.0403 0.0403
Trypanosoma brucei proteasome subunit beta type-5, putative 0.0235 0.7875 1
Brugia malayi Muscleblind-like protein 0.018 0.5641 0.6584
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0069 0.1057 0.1342
Schistosoma mansoni proteasome subunit beta 1 (T01 family) 0.0078 0.1408 0.1788
Echinococcus granulosus lysosomal alpha glucosidase 0.0197 0.6316 0.802
Giardia lamblia Proteasome subunit beta type 5 precursor 0.0235 0.7875 1
Echinococcus multilocularis muscleblind protein 0.018 0.5641 0.7163
Plasmodium vivax hypothetical protein, conserved 0.0053 0.0403 0.0052
Trypanosoma cruzi metacaspase, putative 0.0053 0.0403 0.0511
Brugia malayi Pre-SET motif family protein 0.0251 0.8568 1
Echinococcus multilocularis lysine specific demethylase 5A 0.0071 0.1129 0.1434
Plasmodium falciparum metacaspase 1 0.0053 0.0403 0.0052
Trypanosoma brucei Metacaspase-4 0.0053 0.0403 0.0511
Schistosoma mansoni jumonji/arid domain-containing protein 0.0071 0.1129 0.1434
Schistosoma mansoni hypothetical protein 0.005 0.0251 0.0319
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0069 0.1057 0.1342
Echinococcus multilocularis caspase 0.0141 0.4026 0.5112
Echinococcus multilocularis caspase 2 0.0103 0.2455 0.3118
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0235 0.7875 0.7875
Brugia malayi jmjC domain containing protein 0.0071 0.1129 0.1318
Plasmodium falciparum proteasome subunit beta type-5 0.0235 0.7875 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.8568 1
Entamoeba histolytica proteasome subunit beta type 1, putative 0.0078 0.1408 0.1788
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0053 0.0403 0.0511
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0071 0.1129 0.1434
Trypanosoma cruzi metacaspase, putative 0.0053 0.0403 0.0511
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0053 0.0403 0.0403
Schistosoma mansoni proteasome catalytic subunit 3 (T01 family) 0.0235 0.7875 1
Trypanosoma cruzi proteasome subunit beta type-2, putative 0.0052 0.0363 0.0461
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0053 0.0403 0.0511
Echinococcus multilocularis caspase 3 0.0088 0.1822 0.2314
Mycobacterium ulcerans proteasome PrcB 0.0235 0.7875 1
Echinococcus multilocularis apoptotic protease activating factor 1 0.005 0.0251 0.0319
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0053 0.0403 0.0403
Brugia malayi proteasome subunit beta type 1 0.0078 0.1408 0.1643
Trichomonas vaginalis conserved hypothetical protein 0.0053 0.0403 0.0403
Trypanosoma cruzi metacaspase, putative 0.0053 0.0403 0.0511
Trichomonas vaginalis set domain proteins, putative 0.0286 1 1
Brugia malayi jmjC domain containing protein 0.0071 0.1129 0.1318
Schistosoma mansoni jumonji/arid domain-containing protein 0.0071 0.1129 0.1434
Echinococcus granulosus caspase 3 apoptosis cysteine peptidase 0.0141 0.4026 0.5112
Leishmania major proteasome beta 6 subunit, putative,20S proteasome beta 6 subunit, putative 0.0078 0.1408 0.1788
Brugia malayi Cell death protein 3 precursor 0.0103 0.2455 0.2866
Echinococcus granulosus muscleblind protein 0.018 0.5641 0.7163
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0053 0.0403 0.0403
Echinococcus granulosus caspase 2 0.0103 0.2455 0.3118
Loa Loa (eye worm) hypothetical protein 0.018 0.5641 0.6584
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0069 0.1057 0.1342
Trypanosoma cruzi metacaspase, putative 0.0053 0.0403 0.0511
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0065 0.0864 0.1009
Echinococcus granulosus proteasome prosome macropain subunit beta 0.0052 0.0363 0.0461
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0053 0.0403 0.0403
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.6316 0.802
Trypanosoma brucei proteasome subunit beta type-2, putative 0.0052 0.0363 0.0461
Schistosoma mansoni proteasome subunit beta 2 (T01 family) 0.0052 0.0363 0.0461
Plasmodium vivax proteasome subunit beta type-1, putative 0.0078 0.1408 0.1391
Giardia lamblia Proteasome subunit beta type 1 0.0078 0.1408 0.1391
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0235 0.7875 1
Trichomonas vaginalis conserved hypothetical protein 0.0053 0.0403 0.0403
Toxoplasma gondii proteasome subunit beta type, putative 0.0235 0.7875 1
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0053 0.0403 0.0511
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.0235 0.7875 0.9192
Loa Loa (eye worm) hypothetical protein 0.018 0.5641 0.6584
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0052 0.0363 0.0363
Trichomonas vaginalis conserved hypothetical protein 0.0053 0.0403 0.0403
Schistosoma mansoni proteasome subunit beta 2 (T01 family) 0.0052 0.0363 0.0461
Onchocerca volvulus 0.0114 0.2893 0.271
Echinococcus granulosus proteasome prosome macropain 0.0235 0.7875 1
Echinococcus multilocularis caspase 3, apoptosis cysteine peptidase 0.0141 0.4026 0.5112
Loa Loa (eye worm) jmjC domain-containing protein 0.0071 0.1129 0.1318
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0069 0.1057 0.1234
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0235 0.7875 1
Schistosoma mansoni jumonji domain containing protein 0.0071 0.1129 0.1434
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0053 0.0403 0.0403
Loa Loa (eye worm) hypothetical protein 0.005 0.0251 0.0293
Brugia malayi mucosa associated lymphoid tissue lymphoma translocation protein 1 0.0053 0.0403 0.047
Brugia malayi Proteasome A-type and B-type family protein 0.0235 0.7875 0.9192
Leishmania major proteasome beta 2 subunit, putative 0.0052 0.0363 0.0461
Mycobacterium tuberculosis Proteasome beta subunit PrcB; assembles with alpha subunit PrcA. 0.0235 0.7875 1
Echinococcus multilocularis proteasome (prosome, macropain) subunit, beta 0.0078 0.1408 0.1788
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.6316 0.802
Trypanosoma brucei proteasome beta 6 subunit 0.0078 0.1408 0.1788
Echinococcus granulosus caspase 0.0141 0.4026 0.5112
Trypanosoma cruzi 20S proteasome subunit 0.0052 0.0363 0.0461
Echinococcus multilocularis proteasome (prosome, macropain) 0.0235 0.7875 1
Trypanosoma cruzi proteasome beta 6 subunit, putative 0.0078 0.1408 0.1788
Brugia malayi proteasome subunit beta type 2 0.0052 0.0363 0.0424
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0071 0.1129 0.1434
Trichomonas vaginalis conserved hypothetical protein 0.0053 0.0403 0.0403
Loa Loa (eye worm) proteasome subunit beta type 1 0.0078 0.1408 0.1643
Plasmodium falciparum proteasome subunit beta type-1, putative 0.0078 0.1408 0.1391
Brugia malayi Glycosyl hydrolases family 31 protein 0.0197 0.6316 0.7372
Trypanosoma cruzi metacaspase 5, putative 0.0053 0.0403 0.0511
Loa Loa (eye worm) proteasome subunit beta type 2 0.0052 0.0363 0.0424
Loa Loa (eye worm) hypothetical protein 0.0103 0.2455 0.2866
Entamoeba histolytica probable proteasome subunit beta type 2, putative 0.0052 0.0363 0.0461
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0069 0.1057 0.1342
Schistosoma mansoni caspase-7 (C14 family) 0.0103 0.2455 0.3118
Mycobacterium leprae proteasome (beta subunit) PrcB 0.0235 0.7875 0.5
Schistosoma mansoni alpha-glucosidase 0.0169 0.5185 0.6584
Trypanosoma cruzi proteasome beta 6 subunit, putative 0.0078 0.1408 0.1788
Echinococcus multilocularis proteasome (prosome, macropain) subunit, beta 0.0052 0.0363 0.0461
Leishmania major proteasome beta 5 subunit, putative 0.0235 0.7875 1
Echinococcus granulosus proteasome prosome macropain subunit beta 0.0078 0.1408 0.1788
Brugia malayi hypothetical protein 0.005 0.0251 0.0293
Echinococcus granulosus caspase 3 0.0088 0.1822 0.2314
Echinococcus multilocularis muscleblind protein 1 0.018 0.5641 0.7163
Trypanosoma brucei metacaspase 0.0053 0.0403 0.0511
Trypanosoma brucei metacaspase MCA2 0.0053 0.0403 0.0511
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0052 0.0363 0.0363
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0197 0.6316 0.7372
Trypanosoma brucei metacaspase 5, putative 0.0053 0.0403 0.0511
Leishmania major metacaspase, putative 0.0053 0.0403 0.0511
Echinococcus granulosus lysine specific demethylase 5A 0.0071 0.1129 0.1434
Plasmodium vivax metacaspase 1, putative 0.0053 0.0403 0.0052
Loa Loa (eye worm) hypothetical protein 0.0053 0.0403 0.047
Plasmodium vivax proteasome subunit beta type-5, putative 0.0235 0.7875 1
Schistosoma mansoni subfamily C14A unassigned peptidase (C14 family) 0.0053 0.0403 0.0511
Echinococcus granulosus caspase 8 0.0053 0.0403 0.0511
Trypanosoma brucei metacaspase MCA3 0.0053 0.0403 0.0511
Trypanosoma cruzi metacaspase 5, putative 0.0053 0.0403 0.0511
Trichomonas vaginalis conserved hypothetical protein 0.0053 0.0403 0.0403
Echinococcus multilocularis caspase 8 0.0053 0.0403 0.0511
Entamoeba histolytica proteasome subunit beta type 5 precursor, putative 0.0235 0.7875 1
Echinococcus granulosus apoptotic protease activating factor 1 0.005 0.0251 0.0319
Schistosoma mansoni alpha-glucosidase 0.0169 0.5185 0.6584
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0053 0.0403 0.0403
Toxoplasma gondii proteasome subunit beta type 1, putative 0.0078 0.1408 0.1788
Plasmodium falciparum metacaspase-like protein 0.0053 0.0403 0.0052
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0053 0.0403 0.0403
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0078 0.1408 0.1408
Toxoplasma gondii proteasome subunit beta type 2, putative 0.0052 0.0363 0.0461
Trichomonas vaginalis conserved hypothetical protein 0.0053 0.0403 0.0403

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.7943 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) = 2.5119 um PUBCHEM_BIOASSAY: qHTS Assay for Allosteric/Competitive Inhibitors of Caspase-1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Assay for Allosteric/Competitive Inhibitors of Caspase-7. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 3.1623 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 (binding) 3.5481 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.9811 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ] ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ] ChEMBL. No reference
Potency (functional) = 22.3872 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) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1476 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent))] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Galactosidase From Spleen Homogenate. (Class of assay: confirmatory) [Related pubchem assays: 1472, 1467 ] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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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