Detailed information for compound 1386804

Basic information

Technical information
  • TDR Targets ID: 1386804
  • Name: 1-(4-bromophenyl)-2-[2-(3-hydroxypropylamino) benzimidazol-1-yl]ethanone; hydron; bromide
  • MW: 469.17 | Formula: C18H19Br2N3O2
  • H donors: 2 H acceptors: 3 LogP: 5.15 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCCCNc1nc2c(n1CC(=O)c1ccc(cc1)Br)cccc2.Br
  • InChi: 1S/C18H18BrN3O2.BrH/c19-14-8-6-13(7-9-14)17(24)12-22-16-5-2-1-4-15(16)21-18(22)20-10-3-11-23;/h1-2,4-9,23H,3,10-12H2,(H,20,21);1H
  • InChiKey: UKVGAERRUPMTDF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(4-bromophenyl)-2-[2-(3-hydroxypropylamino)benzimidazol-1-yl]ethanone hydrobromide
  • 1-(4-bromophenyl)-2-[2-(3-hydroxypropylamino)-1-benzimidazolyl]ethanone; hydron; bromide
  • 1-(4-bromophenyl)-2-[2-(3-hydroxypropylamino)-1-benzimidazolyl]ethanone hydrobromide
  • MLS000038984
  • SMR000034247

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Schistosoma mansoni Thioredoxin glutathione reductase Starlite/ChEMBL No references
Mus musculus transient receptor potential cation channel, subfamily C, member 4 Starlite/ChEMBL No references
Homo sapiens glutaminase Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor 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
Loa Loa (eye worm) glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Neospora caninum MGC84926 protein, related 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
Schistosoma japonicum Transient receptor potential-gamma protein, putative Get druggable targets OG5_128782 All targets in OG5_128782
Echinococcus multilocularis thioredoxin glutathione 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
Loa Loa (eye worm) glutaminase 2 Get druggable targets OG5_129245 All targets in OG5_129245
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus transient receptor potential ion channel A Get druggable targets OG5_128782 All targets in OG5_128782
Babesia bovis thiodoxin reductase, putative 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
Brugia malayi Thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi glutaminase DH11.1 Get druggable targets OG5_129245 All targets in OG5_129245
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi glutathione reductase 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
Leishmania donovani trypanothione reductase 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
Loa Loa (eye worm) glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum thioredoxin 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
Plasmodium falciparum 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
Schistosoma mansoni transient receptor potential channel 4 Get druggable targets OG5_128782 All targets in OG5_128782
Trichomonas vaginalis glutaminase, putative Get druggable targets OG5_129245 All targets in OG5_129245
Echinococcus multilocularis transient receptor potential ion channel A Get druggable targets OG5_128782 All targets in OG5_128782
Plasmodium knowlesi glutathione reductase, putative 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
Echinococcus multilocularis transient receptor potential gamma protein Get druggable targets OG5_128782 All targets in OG5_128782
Schistosoma japonicum ko:K05328 transient receptor potential cation channel, subfamily C,, putative Get druggable targets OG5_128782 All targets in OG5_128782
Plasmodium vivax glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum Short transient receptor potential channel 5, putative Get druggable targets OG5_128782 All targets in OG5_128782
Echinococcus granulosus TRP transient receptor potential channel Get druggable targets OG5_128782 All targets in OG5_128782
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128782 All targets in OG5_128782
Plasmodium yoelii glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania braziliensis trypanothione reductase 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
Echinococcus multilocularis TRP (transient receptor potential) channel Get druggable targets OG5_128782 All targets in OG5_128782
Leishmania mexicana trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum Short transient receptor potential channel 5, putative Get druggable targets OG5_128782 All targets in OG5_128782
Trypanosoma congolense trypanothione reductase, putative 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) hypothetical protein Get druggable targets OG5_128782 All targets in OG5_128782
Neospora caninum Glutathione reductase, related Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma mansoni glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Echinococcus granulosus transient receptor potential gamma protein Get druggable targets OG5_128782 All targets in OG5_128782
Theileria parva thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Mycobacterium ulcerans glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Brugia malayi Transient-receptor-potential like protein Get druggable targets OG5_128782 All targets in OG5_128782
Plasmodium berghei glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128782 All targets in OG5_128782
Schistosoma mansoni transient receptor potential channel Get druggable targets OG5_128782 All targets in OG5_128782
Plasmodium knowlesi thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei trypanothione 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
Schistosoma japonicum ko:K05328 transient receptor potential cation channel, subfamily C,, putative Get druggable targets OG5_128782 All targets in OG5_128782
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Neospora caninum glutathione reductase, putative Thioredoxin glutathione reductase   598 aa 532 aa 34.6 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 538 aa 25.3 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin glutathione reductase   598 aa 513 aa 25.0 %
Onchocerca volvulus Thioredoxin glutathione reductase   598 aa 533 aa 50.8 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin glutathione reductase   598 aa 555 aa 33.5 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 518 aa 22.0 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Neospora caninum hypothetical protein Thioredoxin glutathione reductase   598 aa 485 aa 30.5 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin glutathione reductase   598 aa 537 aa 24.2 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin glutathione reductase   598 aa 512 aa 28.3 %
Echinococcus multilocularis short transient receptor potential channel 6 transient receptor potential cation channel, subfamily C, member 4 890 aa 799 aa 31.2 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 521 aa 21.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis CMGC family protein kinase 0.0397 0.9944 1
Toxoplasma gondii CMGC kinase, CK2 family 0.0397 0.9944 1
Plasmodium vivax glycogen synthase kinase 3, putative 0.0116 0.2562 0.2227
Loa Loa (eye worm) hypothetical protein 0.0041 0.0582 0.0582
Echinococcus granulosus transient receptor potential gamma protein 0.0117 0.2585 0.2585
Giardia lamblia Kinase, CMGC GSK 0.0116 0.2562 0.1809
Trypanosoma cruzi cdc2-related kinase 3 0.0054 0.0932 0.0249
Brugia malayi Casein kinase II, alpha chain 0.0397 0.9944 0.9944
Echinococcus multilocularis cyclin dependent kinase 1 0.0054 0.0932 0.0932
Echinococcus multilocularis TRP (transient receptor potential) channel 0.0044 0.0646 0.0646
Loa Loa (eye worm) hypothetical protein 0.0049 0.079 0.079
Leishmania major casein kinase II, putative 0.0397 0.9944 1
Echinococcus multilocularis glycogen synthase kinase 3 beta 0.0116 0.2562 0.2562
Schistosoma mansoni serine/threonine protein kinase 0.0054 0.0932 0.0932
Loa Loa (eye worm) hypothetical protein 0.006 0.1084 0.1084
Loa Loa (eye worm) hypothetical protein 0.0074 0.1437 0.1437
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0116 0.2562 0.2562
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.0116 0.2562 0.2562
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0054 0.0932 0.0932
Loa Loa (eye worm) hypothetical protein 0.0036 0.0448 0.0448
Entamoeba histolytica casein kinase, putative 0.0397 0.9944 0.9938
Trichomonas vaginalis set domain proteins, putative 0.0286 0.7032 0.6769
Brugia malayi Pre-SET motif family protein 0.0251 0.6118 0.6118
Schistosoma mansoni transient receptor potential channel 0.0078 0.154 0.154
Echinococcus multilocularis casein kinase ii subunit alpha 0.0397 0.9944 0.9944
Plasmodium vivax casein kinase 2, alpha subunit, putative 0.0397 0.9944 1
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0054 0.0932 0.0932
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.0701 0.0267
Entamoeba histolytica protein kinase, putative 0.0116 0.2562 0.1798
Echinococcus granulosus short transient receptor potential channel 6 0.0078 0.154 0.154
Brugia malayi Thioredoxin reductase 0.0046 0.0701 0.0701
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0104 0.2243 0.8342
Loa Loa (eye worm) hypothetical protein 0.004 0.0544 0.0544
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0448 0.0448
Plasmodium vivax protein kinase Crk2 0.0054 0.0932 0.051
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0448 0.0448
Echinococcus granulosus casein kinase ii subunit alpha 0.0397 0.9944 0.9944
Echinococcus multilocularis transient receptor potential ion channel A 0.0113 0.2482 0.2482
Echinococcus granulosus cyclin dependent kinase 5 0.0054 0.0932 0.0932
Giardia lamblia Kinase, CMGC GSK 0.0116 0.2562 0.1809
Echinococcus multilocularis short transient receptor potential channel 6 0.0078 0.154 0.154
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0104 0.2243 0.8342
Entamoeba histolytica protein kinase domain containing protein 0.0116 0.2562 0.1798
Trichomonas vaginalis CMGC family protein kinase 0.0397 0.9944 1
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 0.0116 0.2562 0.2013
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0448 0.0448
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0104 0.2243 0.8342
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0413 0.0413
Trypanosoma cruzi cdc2-related kinase 3 0.0054 0.0932 0.0249
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.0054 0.0932 0.0249
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0116 0.2549 1
Trichomonas vaginalis CMGC family protein kinase 0.0397 0.9944 1
Brugia malayi Protein kinase domain containing protein 0.0054 0.0932 0.0932
Schistosoma mansoni transient receptor potential channel 0.0078 0.154 0.154
Trypanosoma cruzi glycogen synthase kinase 3, putative 0.0116 0.2562 0.2013
Trypanosoma brucei cdc2-related kinase 1 0.0054 0.0932 0.0249
Loa Loa (eye worm) glutaminase 2 0.033 0.8192 0.8192
Trypanosoma cruzi casein kinase II, putative 0.0397 0.9944 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0448 0.0448
Trichomonas vaginalis CMGC family protein kinase 0.0116 0.2562 0.1809
Echinococcus multilocularis protein kinase shaggy 0.0116 0.2562 0.2562
Trichomonas vaginalis CMGC family protein kinase 0.0397 0.9944 1
Onchocerca volvulus 0.0286 0.7032 1
Plasmodium vivax glutathione reductase, putative 0.0046 0.0701 0.0267
Giardia lamblia Kinase, CMGC CK2 0.0397 0.9944 1
Schistosoma mansoni serine/threonine protein kinase 0.0054 0.0932 0.0932
Toxoplasma gondii cell-cycle-associated protein kinase GSK, putative 0.0116 0.2562 0.2227
Schistosoma mansoni serine/threonine protein kinase 0.0399 1 1
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.0054 0.0932 0.0932
Entamoeba histolytica protein kinase domain containing protein 0.0397 0.9944 0.9938
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0448 0.0448
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0054 0.0932 0.0932
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.0718 0.0718
Trichomonas vaginalis CMGC family protein kinase 0.0116 0.2562 0.1809
Loa Loa (eye worm) CMGC/CK2 protein kinase 0.0397 0.9944 0.9944
Brugia malayi Transient-receptor-potential like protein 0.0044 0.0646 0.0646
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0448 0.0448
Plasmodium falciparum glycogen synthase kinase 3 0.0116 0.2562 0.2013
Loa Loa (eye worm) hypothetical protein 0.0117 0.2585 0.2585
Echinococcus multilocularis cyclin dependent kinase 1 0.0054 0.0932 0.0932
Onchocerca volvulus 0.0116 0.2562 0.3211
Trichomonas vaginalis glutaminase, putative 0.033 0.8192 0.8056
Echinococcus granulosus cyclin dependent kinase 0.0054 0.0932 0.0932
Echinococcus granulosus transient receptor potential ion channel A 0.0113 0.2482 0.2482
Trypanosoma brucei protein kinase, putative 0.0116 0.2562 0.2013
Schistosoma mansoni glutaminase 0.033 0.8192 0.8192
Plasmodium vivax unspecified product 0.0397 0.9944 1
Trypanosoma brucei cdc2-related kinase 3 0.0054 0.0932 0.0249
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.0701 0.0701
Loa Loa (eye worm) glutathione reductase 0.0046 0.0701 0.0701
Brugia malayi glutaminase DH11.1 0.033 0.8192 0.8192
Echinococcus granulosus cyclin dependent kinase 1 0.0054 0.0932 0.0932
Echinococcus multilocularis short transient receptor potential channel 6 0.0078 0.154 0.154
Echinococcus granulosus TRP transient receptor potential channel 0.0044 0.0646 0.0646
Brugia malayi intracellular kinase 0.0116 0.2562 0.2562
Schistosoma mansoni protein kinase 0.0397 0.9944 0.9944
Mycobacterium ulcerans glutaminase 0.033 0.8192 0.5
Trypanosoma cruzi cdc2-related kinase 1 0.0054 0.0932 0.0249
Schistosoma mansoni transient receptor potential channel 4 0.0117 0.2585 0.2585
Echinococcus granulosus protein kinase shaggy 0.0116 0.2562 0.2562
Schistosoma mansoni transient receptor potential channel 0.0117 0.2585 0.2585
Echinococcus granulosus glycogen synthase kinase 3 beta 0.0116 0.2562 0.2562
Mycobacterium tuberculosis Probable reductase 0.0104 0.2243 0.8342
Plasmodium falciparum protein kinase 5 0.0054 0.0932 0.0249
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.0054 0.0932 0.0249
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0116 0.2549 1
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0582 0.0582
Mycobacterium tuberculosis Probable dehydrogenase 0.0104 0.2243 0.8342
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.0054 0.0932 0.051
Brugia malayi glutathione reductase 0.0046 0.0701 0.0701
Trichomonas vaginalis CMGC family protein kinase 0.0397 0.9944 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1084 0.1084
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0116 0.2549 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.0646 0.0646
Echinococcus multilocularis cyclin dependent kinase 0.0054 0.0932 0.0932
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0116 0.2562 0.2562
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.6118 0.6118
Loa Loa (eye worm) glutaminase 0.033 0.8192 0.8192
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1084 0.1084
Echinococcus granulosus short transient receptor potential channel 6 0.0078 0.154 0.154
Trypanosoma cruzi cdc2-related kinase 1 0.0054 0.0932 0.0249
Mycobacterium tuberculosis Probable oxidoreductase 0.0116 0.2549 1
Trichomonas vaginalis CMGC family protein kinase 0.0397 0.9944 1
Echinococcus granulosus homeodomain interacting protein kinase 3 0.0399 1 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0104 0.2243 0.8342
Loa Loa (eye worm) CMGC/DYRK/HIPK protein kinase 0.0399 1 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1084 0.1084
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.0718 0.0718
Trichomonas vaginalis CMGC family protein kinase 0.0397 0.9944 1
Trypanosoma brucei Casein kinase II 0.0397 0.9944 1
Brugia malayi cell division control protein 2 homolog 0.0054 0.0932 0.0932
Entamoeba histolytica protein kinase domain containing protein 0.0116 0.2562 0.1798
Plasmodium falciparum casein kinase 2, alpha subunit 0.0397 0.9944 1
Echinococcus multilocularis cyclin dependent kinase 5 0.0054 0.0932 0.0932
Schistosoma mansoni hypothetical protein 0.0041 0.0582 0.0582
Echinococcus multilocularis transient receptor potential gamma protein 0.0117 0.2585 0.2585
Toxoplasma gondii thioredoxin reductase 0.0046 0.0701 0.0267
Brugia malayi Pre-SET motif family protein 0.0036 0.0448 0.0448
Echinococcus multilocularis homeodomain interacting protein kinase 3 0.0399 1 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0448 0.0448
Entamoeba histolytica protein kinase domain containing protein 0.0399 1 1

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) 2.9853 uM PUBCHEM_BIOASSAY: Confirmation dose response assay for compounds that inhibit transient receptor potential cation channel C4 (TRPC4). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2247, AID2256] ChEMBL. No reference
Potency (functional) 7.9433 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 8.9125 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) 14.1254 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 17.7828 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) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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