Detailed information for compound 1543123

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 602.507 | Formula: C33H29Cl2N3O4
  • H donors: 0 H acceptors: 4 LogP: 6.05 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 2
  • SMILES: Clc1ccc(cc1)[C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@]2(N1C(=O)N(C2=O)c1cccc(c1)Cl)Cc1ccccc1)C1CCCCC1
  • InChi: 1S/C33H29Cl2N3O4/c34-22-16-14-21(15-17-22)28-26-27(30(40)36(29(26)39)24-11-5-2-6-12-24)33(19-20-8-3-1-4-9-20)31(41)37(32(42)38(28)33)25-13-7-10-23(35)18-25/h1,3-4,7-10,13-18,24,26-28H,2,5-6,11-12,19H2/t26-,27-,28-,33-/m1/s1
  • InChiKey: YHJLOMPYXZZIKX-UJCZQSIQSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma cruzi trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania donovani trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Neospora caninum Glutathione reductase, related Get druggable targets OG5_126785 All targets in OG5_126785
Babesia bovis thiodoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Theileria parva thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma congolense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium knowlesi glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi Thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium vivax thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium berghei thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium hominis thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania major trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium yoelii glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Toxoplasma gondii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium parvum thioredoxin reductase 1 Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium knowlesi thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium vivax glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania mexicana trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania infantum trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei gambiense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium berghei glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania braziliensis trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium yoelii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Neospora caninum MGC84926 protein, related Get druggable targets OG5_126785 All targets in OG5_126785
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin reductase 1, cytoplasmic   499 aa 464 aa 24.8 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin reductase 1, cytoplasmic   499 aa 506 aa 23.7 %
Leishmania braziliensis 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 450 aa 25.6 %
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.2 %
Leishmania mexicana acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 24.4 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 540 aa 23.3 %
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 454 aa 25.3 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 462 aa 25.8 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Leishmania donovani acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.5 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 539 aa 22.3 %
Leishmania infantum acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.5 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Leishmania infantum dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 460 aa 25.4 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.9 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.3 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 529 aa 31.8 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, point mutation,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.3 %
Leishmania mexicana 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 452 aa 25.7 %
Leishmania braziliensis acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 22.8 %
Trypanosoma brucei dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.4 %
Leishmania donovani dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Plasmodium falciparum thioredoxin reductase Thioredoxin reductase 1, cytoplasmic   499 aa 511 aa 45.2 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.5 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.2 %
Leishmania major acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Leishmania braziliensis dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 488 aa 21.9 %
Neospora caninum glutathione reductase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 32.7 %
Plasmodium falciparum glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 500 aa 32.2 %
Neospora caninum hypothetical protein Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.0 %
Onchocerca volvulus Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 57.3 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.6 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 519 aa 23.7 %
Plasmodium berghei dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 26.9 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 518 aa 24.9 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.002 0.0021 0.5
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0145 0.052 1
Trypanosoma cruzi hypothetical protein, conserved 0.0306 0.1163 0.1998
Trypanosoma brucei carnitine O-palmitoyltransferase II, putative 0.0463 0.1793 1
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0106 0.0106
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0018 0.0018
Schistosoma mansoni choline o-acyltransferase 0.0306 0.1163 1
Trypanosoma cruzi choline/carnitine O-acetyltransferase, putative 0.0306 0.1163 0.1998
Treponema pallidum NADH oxidase 0.002 0.0021 0.5
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.145 0.5737 1
Echinococcus multilocularis tar DNA binding protein 0.0125 0.044 0.0738
Leishmania major carnitine palmitoyltransferase-like protein 0.0463 0.1793 0.31
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.013 0.0462 0.8837
Leishmania major choline/Carnitine o-acyltransferase-like protein 0.145 0.5737 1
Schistosoma mansoni tar DNA-binding protein 0.0125 0.044 0.3686
Mycobacterium ulcerans flavoprotein disulfide reductase 0.002 0.0021 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0306 0.1163 0.1998
Brugia malayi Thioredoxin reductase 0.0057 0.017 0.017
Mycobacterium tuberculosis Putative ferredoxin reductase 0.013 0.0462 0.8837
Schistosoma mansoni tar DNA-binding protein 0.0125 0.044 0.3686
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0104 0.0359 0.0596
Echinococcus granulosus geminin 0.0205 0.076 0.1297
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.002 0.0021 0.5
Echinococcus granulosus carnitine O palmitoyltransferase 1 liver 0.145 0.5737 1
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.0306 0.1163 0.1998
Echinococcus multilocularis choline O acetyltransferase 0.0306 0.1163 0.2002
Plasmodium falciparum thioredoxin reductase 0.0057 0.017 1
Plasmodium falciparum glutathione reductase 0.0057 0.017 1
Brugia malayi glutathione reductase 0.0057 0.017 0.017
Trypanosoma brucei carnitine O-palmitoyltransferase, putative 0.0306 0.1163 0.6445
Echinococcus multilocularis geminin 0.0205 0.076 0.1297
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.145 0.5737 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0106 0.0088
Schistosoma mansoni tar DNA-binding protein 0.0125 0.044 0.3686
Trypanosoma cruzi carnitine/choline acetyltransferase, putative 0.0306 0.1163 0.1998
Loa Loa (eye worm) choline/Carnitine O-acyltransferase 0.0463 0.1793 0.1778
Loa Loa (eye worm) hypothetical protein 0.0306 0.1163 0.1147
Leishmania major trypanothione reductase 0.0057 0.017 0.0261
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0104 0.0359 0.2977
Brugia malayi Choline O-acetyltransferase 0.0306 0.1163 0.1163
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.002 0.0021 0.0026
Trypanosoma cruzi hypothetical protein, conserved 0.0306 0.1163 0.1998
Toxoplasma gondii thioredoxin reductase 0.0057 0.017 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0104 0.0359 0.0359
Schistosoma mansoni choline o-acyltransferase 0.0306 0.1163 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0104 0.0359 0.0596
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0145 0.052 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.002 0.0021 0.5
Trypanosoma brucei hypothetical protein, conserved 0.0306 0.1163 0.6445
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0182 0.0182
Brugia malayi RNA binding protein 0.0125 0.044 0.044
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0018 0.0018
Mycobacterium tuberculosis Probable dehydrogenase 0.013 0.0462 0.8837
Mycobacterium tuberculosis Probable oxidoreductase 0.0145 0.052 1
Loa Loa (eye worm) carnitine O-palmitoyltransferase I isoform 0.0306 0.1163 0.1147
Plasmodium vivax glutathione reductase, putative 0.0057 0.017 1
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.0463 0.1793 0.1793
Trypanosoma cruzi carnitine O-acetyltransferase, putative 0.0306 0.1163 0.1998
Brugia malayi MH2 domain containing protein 0.0144 0.0518 0.0518
Loa Loa (eye worm) glutathione reductase 0.0057 0.017 0.0152
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.0518 0.0501
Trypanosoma cruzi trypanothione reductase, putative 0.0057 0.017 0.0261
Brugia malayi TAR-binding protein 0.0125 0.044 0.044
Echinococcus multilocularis carnitine O palmitoyltransferase 2 0.0463 0.1793 0.3103
Mycobacterium tuberculosis Probable reductase 0.013 0.0462 0.8837
Plasmodium vivax thioredoxin reductase, putative 0.0057 0.017 1
Trypanosoma cruzi hypothetical protein, conserved 0.0306 0.1163 0.1998
Echinococcus granulosus tar DNA binding protein 0.0125 0.044 0.0738
Loa Loa (eye worm) RNA binding protein 0.0125 0.044 0.0423
Loa Loa (eye worm) hypothetical protein 0.006 0.0182 0.0165
Echinococcus multilocularis carnitine O palmitoyltransferase 1, liver 0.145 0.5737 1
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.002 0.0021 0.0021
Loa Loa (eye worm) hypothetical protein 0.2517 1 1
Leishmania major carnitine/choline acetyltransferase, putative 0.0306 0.1163 0.1998
Giardia lamblia NADH oxidase lateral transfer candidate 0.002 0.0021 0.5
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.013 0.0462 0.8837
Echinococcus granulosus choline O acetyltransferase 0.0306 0.1163 0.2002
Trypanosoma cruzi hypothetical protein, conserved 0.0306 0.1163 0.1998
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0104 0.0359 0.2977
Onchocerca volvulus 0.0306 0.1163 0.5
Onchocerca volvulus 0.0306 0.1163 0.5
Trypanosoma brucei carnitine O-palmitoyltransferase II, putative 0.0306 0.1163 0.6445
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.0518 0.0501
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0182 0.0182
Loa Loa (eye worm) TAR-binding protein 0.0125 0.044 0.0423
Schistosoma mansoni tar DNA-binding protein 0.0125 0.044 0.3686
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.002 0.0021 0.5
Schistosoma mansoni hypothetical protein 0.0205 0.076 0.6478
Brugia malayi Choline O-acetyltransferase 0.0306 0.1163 0.1163
Echinococcus granulosus carnitine O palmitoyltransferase 2 0.0463 0.1793 0.3103
Onchocerca volvulus 0.0306 0.1163 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0125 0.044 0.044
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0145 0.052 1
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.002 0.0021 0.0005
Schistosoma mansoni hypothetical protein 0.0205 0.076 0.6478
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0104 0.0359 0.0341
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0104 0.0359 0.0596
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.013 0.0462 0.8837
Trypanosoma brucei trypanothione reductase 0.0057 0.017 0.0842
Trichomonas vaginalis glutathione reductase, putative 0.002 0.0021 0.5
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.002 0.0021 0.0005
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0182 0.0165
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.002 0.0021 0.5
Onchocerca volvulus 0.0306 0.1163 0.5
Echinococcus multilocularis thioredoxin glutathione reductase 0.0057 0.017 0.0266
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0057 0.017 0.2985
Trypanosoma cruzi carnitine O-palmitoyltransferase II, putative 0.0463 0.1793 0.31
Schistosoma mansoni hypothetical protein 0.0041 0.0106 0.0772
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0104 0.0359 0.2977
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0125 0.044 0.0423
Trypanosoma cruzi carnitine/choline acetyltransferase, putative 0.0306 0.1163 0.1998
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0104 0.0359 0.0596
Trichomonas vaginalis mercuric reductase, putative 0.002 0.0021 0.5
Schistosoma mansoni tar DNA-binding protein 0.0125 0.044 0.3686
Trypanosoma brucei carnitine O-acetyltransferase, putative 0.0306 0.1163 0.6445
Echinococcus granulosus thioredoxin glutathione reductase 0.0057 0.017 0.0266
Loa Loa (eye worm) thioredoxin reductase 0.0057 0.017 0.0152
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.0306 0.1163 0.1163
Loa Loa (eye worm) choline O-acetyltransferase 0.0306 0.1163 0.1147

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.0787 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) 2.8184 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 3.5481 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No 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) 28.1838 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] 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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