Detailed information for compound 1353613

Basic information

Technical information
  • TDR Targets ID: 1353613
  • Name: ethyl 2-amino-1-(4-nitrophenyl)-5H-pyrido[5,6 -b]indol-1-ium-3-carboxylate; 2,2,2-trifluoro acetate
  • MW: 490.389 | Formula: C22H17F3N4O6
  • H donors: 3 H acceptors: 5 LogP: 5.35 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: [O-]C(=O)C(F)(F)F.CCOC(=O)c1cc2[nH]c3c(c2[n+](c1N)c1ccc(cc1)[N+](=O)[O-])cccc3
  • InChi: 1S/C20H16N4O4.C2HF3O2/c1-2-28-20(25)15-11-17-18(14-5-3-4-6-16(14)22-17)23(19(15)21)12-7-9-13(10-8-12)24(26)27;3-2(4,5)1(6)7/h3-11H,2H2,1H3,(H2,21,22,25);(H,6,7)
  • InChiKey: NBOVOTWIXMGDDT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-amino-1-(4-nitrophenyl)-5H-pyrido[5,6-b]indol-1-ium-3-carboxylic acid ethyl ester; 2,2,2-trifluoroacetate
  • ethyl 2-amino-1-(4-nitrophenyl)-5H-pyrido[5,6-b]indol-1-ium-3-carboxylate; 2,2,2-trifluoroethanoate
  • 2-amino-3-(ethoxycarbonyl)-1-(4-nitrophenyl)-5H-pyrido[3,2-b]indol-1-ium trifluoroacetate
  • MLS000571862
  • SMR000193879

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens polymerase (DNA directed), eta Starlite/ChEMBL No references
Homo sapiens karyopherin (importin) beta 1 No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Homo sapiens snurportin 1 No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium vivax importin-beta 2, putative Get druggable targets OG5_127843 All targets in OG5_127843
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
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania infantum importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Cryptosporidium parvum DinB/family X-type DNA polymerase Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Trichomonas vaginalis importin beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Plasmodium knowlesi importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Theileria parva importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma congolense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum Snurportin-1, putative Get druggable targets OG5_131808 All targets in OG5_131808
Schistosoma mansoni importin beta-1 Get druggable targets OG5_127843 All targets in OG5_127843
Babesia bovis importin beta subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma brucei gambiense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania mexicana importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Importin subunit beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Toxoplasma gondii HEAT repeat-containing protein Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania mexicana DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Candida albicans similar to S. cerevisiae DNA polymerase pol-eta, involved in the bypass of distorted DNA lesions Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma japonicum Importin subunit beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Echinococcus multilocularis importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus multilocularis dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma brucei DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Plasmodium falciparum importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Neospora caninum hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Cryptosporidium hominis importin-beta2 Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Echinococcus multilocularis 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
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
Plasmodium berghei importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni DNA polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Toxoplasma gondii ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
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
Loa Loa (eye worm) nucleolar RNA-associated protein alpha Get druggable targets OG5_131808 All targets in OG5_131808
Trypanosoma congolense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma cruzi importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans similar to S. cerevisiae DNA polymerase pol-eta, involved in the bypass of distorted DNA lesions Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania donovani importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi Importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania major importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium yoelii importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Neospora caninum Pc21g17280 protein, related Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128521 All targets in OG5_128521
Cryptosporidium parvum importin/karyopherin Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania braziliensis importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei gambiense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma mansoni hypothetical protein Get druggable targets OG5_131808 All targets in OG5_131808
Leishmania mexicana Get druggable targets OG5_128521 All targets in OG5_128521
Brugia malayi RNA, U transporter 1 Get druggable targets OG5_131808 All targets in OG5_131808
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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni importin beta-1 0.0035 0.0527 0.033
Onchocerca volvulus 0.0063 0.1314 0.5
Loa Loa (eye worm) carboxylesterase 0.0063 0.1314 0.1134
Brugia malayi Importin beta-1 subunit 0.0035 0.0527 0.0431
Echinococcus multilocularis muscleblind protein 0.018 0.4619 0.4507
Trypanosoma cruzi DNA polymerase eta, putative 0.0054 0.1068 1
Echinococcus multilocularis muscleblind protein 1 0.018 0.4619 0.4507
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0203 0.1904
Entamoeba histolytica hypothetical protein 0.0028 0.0342 1
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0063 0.1314 0.1134
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.0342 0.1247
Echinococcus multilocularis importin subunit beta 1 0.0035 0.0527 0.033
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1101 0.0916
Loa Loa (eye worm) hypothetical protein 0.0063 0.1314 0.1134
Echinococcus granulosus acetylcholinesterase 0.0372 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1101 0.0916
Plasmodium vivax importin-beta 2, putative 0.0035 0.0527 1
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0404 0.2319
Brugia malayi Carboxylesterase family protein 0.0063 0.1314 0.1226
Echinococcus granulosus acetylcholinesterase 0.0372 1 1
Echinococcus granulosus neuroligin 0.0063 0.1314 0.1134
Schistosoma mansoni hypothetical protein 0.0372 0.9997 0.9997
Brugia malayi RNA, U transporter 1 0.0099 0.2331 0.2254
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0203 0.1904
Brugia malayi Carboxylesterase family protein 0.0372 1 1
Echinococcus granulosus muscleblind protein 0.018 0.4619 0.4507
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0063 0.1314 1
Onchocerca volvulus 0.0063 0.1314 0.5
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0372 1 1
Onchocerca volvulus 0.0063 0.1314 0.5
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0372 0.9997 0.9997
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.0527 0.4935
Brugia malayi Carboxylesterase family protein 0.0063 0.1314 0.1226
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0063 0.1314 1
Trichomonas vaginalis importin beta-1, putative 0.0028 0.0342 0.1247
Loa Loa (eye worm) hypothetical protein 0.0054 0.1068 0.0883
Mycobacterium tuberculosis Carboxylesterase LipT 0.0063 0.1314 1
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0203 0.1904
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0203 0.0104
Echinococcus granulosus carboxylesterase 5A 0.0372 1 1
Echinococcus granulosus para nitrobenzyl esterase 0.0063 0.1314 0.1134
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0203 0.1904
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1101 0.0916
Schistosoma mansoni gliotactin 0.0063 0.1314 0.1134
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1101 0.0916
Brugia malayi hypothetical protein 0.003 0.0404 0.0306
Mycobacterium ulcerans carboxylesterase, LipT 0.0063 0.1314 1
Loa Loa (eye worm) hypothetical protein 0.0063 0.1314 0.1134
Giardia lamblia DINP protein human, muc B family 0.0023 0.0203 0.5
Trichomonas vaginalis spcc417.12 protein, putative 0.0063 0.1314 1
Loa Loa (eye worm) carboxylesterase 0.0372 1 1
Trypanosoma brucei unspecified product 0.0023 0.0203 0.1904
Leishmania major hypothetical protein, conserved 0.003 0.0404 0.2319
Brugia malayi Carboxylesterase family protein 0.0063 0.1314 0.1226
Echinococcus multilocularis snurportin 1 0.0372 0.9997 0.9997
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0203 0.1904
Loa Loa (eye worm) hypothetical protein 0.0063 0.1314 0.1134
Leishmania major DNA polymerase eta, putative 0.0038 0.0616 0.4775
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0063 0.1314 0.1134
Loa Loa (eye worm) hypothetical protein 0.003 0.0404 0.0205
Brugia malayi ImpB/MucB/SamB family protein 0.0054 0.1068 0.0977
Loa Loa (eye worm) carboxylesterase 0.0063 0.1314 0.1134
Loa Loa (eye worm) hypothetical protein 0.018 0.4619 0.4507
Echinococcus multilocularis para nitrobenzyl esterase 0.0063 0.1314 0.1134
Echinococcus granulosus dna polymerase eta 0.0054 0.1068 0.0883
Loa Loa (eye worm) acetylcholinesterase 1 0.0372 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1101 0.0916
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0038 0.0616 1
Echinococcus multilocularis dna polymerase eta 0.0054 0.1068 0.0883
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1101 0.0916
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.0342 0.1247
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0203 0.1904
Brugia malayi hypothetical protein 0.0063 0.1314 0.1226
Loa Loa (eye worm) hypothetical protein 0.018 0.4619 0.4507
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0063 0.1314 0.1134
Loa Loa (eye worm) hypothetical protein 0.0063 0.1314 0.1134
Onchocerca volvulus 0.0063 0.1314 0.5
Leishmania major importin beta-1 subunit, putative 0.0028 0.0342 0.1603
Echinococcus granulosus BC026374 protein S09 family 0.0063 0.1314 0.1134
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.1101 0.101
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0203 0.1904
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0203 0.1904
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0063 0.1314 0.1134
Loa Loa (eye worm) hypothetical protein 0.0372 1 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0063 0.1314 0.1134
Schistosoma mansoni DNA polymerase eta 0.0054 0.1068 0.0883
Echinococcus granulosus snurportin 1 0.0372 0.9997 0.9997
Echinococcus multilocularis acetylcholinesterase 0.0372 1 1
Schistosoma mansoni BC026374 protein (S09 family) 0.0063 0.1314 0.1134
Loa Loa (eye worm) hypothetical protein 0.0063 0.1314 0.1134
Echinococcus multilocularis carboxylesterase 5A 0.0372 1 1
Schistosoma mansoni acetylcholinesterase 0.0063 0.1314 0.1134
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.0527 0.4935
Loa Loa (eye worm) hypothetical protein 0.0035 0.0527 0.033
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0203 0.1904
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0203 0.1904
Plasmodium falciparum importin beta, putative 0.0035 0.0527 1
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0203 0.1904
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0203 0.1904
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0404 0.2319
Loa Loa (eye worm) hypothetical protein 0.0063 0.1314 0.1134
Onchocerca volvulus 0.0063 0.1314 0.5
Leishmania major DNA polymerase eta, putative 0.0054 0.1068 1
Brugia malayi Carboxylesterase family protein 0.0063 0.1314 0.1226
Echinococcus multilocularis BC026374 protein (S09 family) 0.0063 0.1314 0.1134
Loa Loa (eye worm) hypothetical protein 0.0063 0.1314 0.1134
Echinococcus granulosus importin subunit beta 1 0.0035 0.0527 0.033
Echinococcus multilocularis acetylcholinesterase 0.0372 1 1
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0404 0.3781
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1101 0.0916
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.1101 0.0916
Trypanosoma cruzi DNA polymerase eta, putative 0.0038 0.0616 0.4775
Trypanosoma cruzi importin beta-1 subunit, putative 0.0028 0.0342 0.1603
Schistosoma mansoni neuroligin 3 (S09 family) 0.0063 0.1314 0.1134
Trypanosoma brucei DNA polymerase eta, putative 0.0054 0.1068 1
Brugia malayi Muscleblind-like protein 0.018 0.4619 0.4564
Echinococcus multilocularis neuroligin 0.0063 0.1314 0.1134
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0063 0.1314 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0203 0.1904
Toxoplasma gondii HEAT repeat-containing protein 0.0035 0.0527 0.5799
Loa Loa (eye worm) hypothetical protein 0.0372 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.8913 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) 2.2387 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.6964 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) = 5.6234 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 8.9125 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] ChEMBL. No reference
Potency (functional) 9.285 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 (binding) 10 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.8489 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 25.929 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 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) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Human Flap endonuclease 1 (FEN1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488813] 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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