Detailed information for compound 1439480

Basic information

Technical information
  • TDR Targets ID: 1439480
  • Name: MLS000335690
  • MW: 452.478 | Formula: C20H24N2O8S
  • H donors: 1 H acceptors: 5 LogP: 1.38 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(ccc1OCc1c(C)noc1C)C(=O)OCC(=O)NC1CCS(=O)(=O)C1
  • InChi: 1S/C20H24N2O8S/c1-12-16(13(2)30-22-12)9-28-17-5-4-14(8-18(17)27-3)20(24)29-10-19(23)21-15-6-7-31(25,26)11-15/h4-5,8,15H,6-7,9-11H2,1-3H3,(H,21,23)
  • InChiKey: PYGIFTFSTRDOLX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • SMR000253444
  • T5242788

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
Homo sapiens RAN, member RAS oncogene family No references
Homo sapiens l(3)mbt-like 1 (Drosophila) Starlite/ChEMBL No references
Homo sapiens karyopherin (importin) beta 1 No references
Equus caballus Ferritin light chain Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens snurportin 1 No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis importin beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium vivax importin-beta 2, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
Plasmodium yoelii importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania braziliensis importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania major GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Cryptosporidium hominis GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma congolense importin beta-1 subunit, putative 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
Echinococcus multilocularis snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Plasmodium falciparum importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma cruzi importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Giardia lamblia GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Babesia bovis GTP-binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma japonicum Lethal(3)malignant brain tumor-like 4 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Schistosoma mansoni hypothetical protein Get druggable targets OG5_130415 All targets in OG5_130415
Leishmania donovani importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum ko:K07936 GTP-binding nuclear protein Ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus multilocularis importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Entamoeba histolytica Ran family GTPase Get druggable targets OG5_127514 All targets in OG5_127514
Babesia bovis importin beta subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei gambiense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Brugia malayi RNA, U transporter 1 Get druggable targets OG5_131808 All targets in OG5_131808
Trypanosoma brucei gambiense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum 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
Trypanosoma congolense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans karyopherin-beta 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 GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
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
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Trichomonas vaginalis 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
Leishmania braziliensis GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Brugia malayi Importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium berghei GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) nucleolar RNA-associated protein alpha Get druggable targets OG5_131808 All targets in OG5_131808
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Lethal(3)malignant brain tumor-like 3 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Neospora caninum GTP-binding nuclear protein Ran, related Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium knowlesi GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium knowlesi importin beta, putative 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 multilocularis endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
Cryptosporidium parvum importin/karyopherin Get druggable targets OG5_127843 All targets in OG5_127843
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Leishmania major importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium parvum GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania donovani GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Theileria parva GTP-binding nuclear protein ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Importin subunit beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Theileria parva importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Leishmania infantum importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni importin beta-1 Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni hypothetical protein Get druggable targets OG5_131808 All targets in OG5_131808
Leishmania mexicana GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Toxoplasma gondii HEAT repeat-containing protein Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Plasmodium yoelii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Neospora caninum hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Snurportin-1, putative Get druggable targets OG5_131808 All targets in OG5_131808
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium hominis importin-beta2 Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania mexicana importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania infantum GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Schistosoma japonicum Conserved hypothetical 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
Plasmodium berghei importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi RNA, U transporter 1 0.0099 0.2166 0.6645
Leishmania major hypothetical protein, conserved 0.003 0.0195 0.2695
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.1392 0.1392
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0195 0.2695
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.0321 0.515
Trichomonas vaginalis esterase, putative 0.0043 0.057 1
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0066 0.1205 0.1205
Loa Loa (eye worm) hypothetical protein 0.0035 0.0321 0.0286
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0195 0.5234
Echinococcus multilocularis snurportin 1 0.0372 1 1
Schistosoma mansoni ran 0.0026 0.0057 0.0057
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.057 1
Brugia malayi beta-lactamase family protein 0.0043 0.057 0.1616
Loa Loa (eye worm) hypothetical protein 0.0066 0.1205 0.1172
Mycobacterium ulcerans beta-lactamase 0.0043 0.057 0.5
Brugia malayi mbt repeat family protein 0.0058 0.0976 0.2895
Echinococcus multilocularis importin subunit beta 1 0.0035 0.0321 0.0321
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0227 0.5842 0.5842
Loa Loa (eye worm) hypothetical protein 0.0046 0.0652 0.0618
Brugia malayi Bromodomain containing protein 0.0091 0.1923 0.588
Echinococcus multilocularis SAM and MBT domain containing protein 0.0058 0.0976 0.0976
Echinococcus granulosus acetylcholinesterase 0.0136 0.323 0.323
Loa Loa (eye worm) hypothetical protein 0.003 0.0195 0.0159
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.1392 0.1392
Schistosoma mansoni myelin transcription factor 1 myt1 0.0066 0.1205 0.1205
Echinococcus multilocularis histone acetyltransferase MYST2 0.0066 0.1205 0.1205
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.0103 0.0103
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0136 0.323 0.323
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0195 0.2695
Loa Loa (eye worm) hypothetical protein 0.0043 0.057 0.0535
Loa Loa (eye worm) hypothetical protein 0.0136 0.323 0.3205
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.057 0.5
Loa Loa (eye worm) hypothetical protein 0.0043 0.057 0.0535
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.057 0.5
Schistosoma mansoni sex comb on midleg homolog 0.0058 0.0976 0.0976
Schistosoma mansoni ran 0.0026 0.0057 0.0057
Echinococcus granulosus SAM and MBT domain containing protein 0.0058 0.0976 0.0976
Loa Loa (eye worm) hypothetical protein 0.0043 0.057 0.0535
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0195 0.5234
Toxoplasma gondii HEAT repeat-containing protein 0.0035 0.0321 0.515
Loa Loa (eye worm) acetylcholinesterase 1 0.0136 0.323 0.3205
Echinococcus multilocularis polycomb protein SCMH1 0.0058 0.0976 0.0976
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0058 0.0976 1
Trypanosoma cruzi importin beta-1 subunit, putative 0.0028 0.0132 0.1461
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.0567 0.0567
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.0321 0.515
Echinococcus granulosus acetylcholinesterase 0.0136 0.323 0.323
Echinococcus multilocularis acetylcholinesterase 0.0136 0.323 0.323
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.0132 0.1461
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.057 0.057
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.057 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.057 0.0535
Mycobacterium ulcerans hypothetical protein 0.0043 0.057 0.5
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0372 1 1
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0026 0.0057 0.0057
Plasmodium vivax importin-beta 2, putative 0.0035 0.0321 0.515
Echinococcus granulosus importin subunit beta 1 0.0035 0.0321 0.0321
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0227 0.5842 0.5842
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.0103 0.0103
Schistosoma mansoni hypothetical protein 0.0372 1 1
Echinococcus multilocularis carboxylesterase 5A 0.0136 0.323 0.323
Schistosoma mansoni importin beta-1 0.0035 0.0321 0.0321
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0066 0.1205 0.1205
Brugia malayi Bromodomain containing protein 0.0046 0.065 0.1867
Trichomonas vaginalis importin beta-1, putative 0.0028 0.0132 0.1461
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.0567 0.0567
Loa Loa (eye worm) hypothetical protein 0.0043 0.057 0.0535
Echinococcus granulosus polycomb protein SCMH1 0.0058 0.0976 0.0976
Plasmodium vivax hypothetical protein, conserved 0.0043 0.057 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.057 1
Schistosoma mansoni bromodomain containing protein 0.0076 0.1516 0.1516
Echinococcus multilocularis acetylcholinesterase 0.0136 0.323 0.323
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0195 0.2695
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.057 1
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0103 0.0103
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0195 0.2695
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0026 0.0057 0.002
Loa Loa (eye worm) beta-lactamase 0.0043 0.057 0.0535
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0058 0.0976 0.0976
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.7301 1
Echinococcus granulosus GTP binding nuclear protein Ran 0.0026 0.0057 0.0057
Loa Loa (eye worm) mbt repeat family protein 0.0058 0.0976 0.0942
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.057 0.057
Loa Loa (eye worm) hypothetical protein 0.0052 0.08 0.0767
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.057 0.057
Mycobacterium leprae Probable lipase LipE 0.0043 0.057 0.5
Brugia malayi PHD-finger family protein 0.003 0.0185 0.0403
Loa Loa (eye worm) MBCTL1 0.0066 0.1205 0.1172
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0026 0.0057 0.5
Leishmania major importin beta-1 subunit, putative 0.0028 0.0132 0.1461
Brugia malayi Importin beta-1 subunit 0.0035 0.0321 0.0832
Loa Loa (eye worm) hypothetical protein 0.0049 0.0734 0.07
Brugia malayi Carboxylesterase family protein 0.0136 0.323 1
Echinococcus granulosus carboxylesterase 5A 0.0136 0.323 0.323
Onchocerca volvulus 0.0058 0.0976 1
Brugia malayi beta-lactamase family protein 0.0043 0.057 0.1616
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.057 1
Loa Loa (eye worm) carboxylesterase 0.0136 0.323 0.3205
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.057 0.1616
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.0132 0.1461
Plasmodium falciparum importin beta, putative 0.0035 0.0321 1
Brugia malayi mbt repeat family protein 0.0058 0.0976 0.2895
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0066 0.1205 0.3617
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0195 0.2695
Loa Loa (eye worm) hypothetical protein 0.0043 0.057 0.0535
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.057 0.0535
Schistosoma mansoni sex comb on midleg homolog 0.0058 0.0976 0.0976
Mycobacterium leprae conserved hypothetical protein 0.0043 0.057 0.5
Brugia malayi beta-lactamase 0.0043 0.057 0.1616
Brugia malayi hypothetical protein 0.003 0.0195 0.0436
Loa Loa (eye worm) hypothetical protein 0.0058 0.0976 0.0942
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.057 1
Schistosoma mansoni hypothetical protein 0.0025 0.0037 0.0037
Mycobacterium ulcerans lipase LipD 0.0043 0.057 0.5
Loa Loa (eye worm) hypothetical protein 0.0085 0.1774 0.1744
Entamoeba histolytica hypothetical protein 0.0028 0.0132 1
Echinococcus granulosus histone acetyltransferase MYST2 0.0066 0.1205 0.1205
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.057 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.057 0.057
Leishmania major hypothetical protein, conserved 0.0043 0.057 1
Brugia malayi Carboxylesterase family protein 0.0136 0.323 1
Schistosoma mansoni hypothetical protein 0.035 0.9381 0.9381
Toxoplasma gondii ABC1 family protein 0.0043 0.057 1
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.057 1
Loa Loa (eye worm) hypothetical protein 0.0136 0.323 0.3205

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.4467 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] ChEMBL. No reference
Potency (functional) 0.8199 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
Potency (functional) 2.8184 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) = 4.4668 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (binding) = 7.0795 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) 10 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 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) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) 316.2278 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (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.

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