Detailed information for compound 1398511

Basic information

Technical information
  • TDR Targets ID: 1398511
  • Name: T5553269
  • MW: 438.089 | Formula: C16H12Cl4N2O4
  • H donors: 1 H acceptors: 3 LogP: 4.69 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc(c1)CNC(=O)COC(=O)c1nc(Cl)c(c(c1Cl)Cl)Cl
  • InChi: 1S/C16H12Cl4N2O4/c1-25-9-4-2-3-8(5-9)6-21-10(23)7-26-16(24)14-12(18)11(17)13(19)15(20)22-14/h2-5H,6-7H2,1H3,(H,21,23)
  • InChiKey: COOYMHBLQUZDNF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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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
Schistosoma mansoni Thioredoxin glutathione reductase Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed), eta Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Cryptosporidium parvum DinB/family X-type DNA polymerase Get druggable targets OG5_128521 All targets in OG5_128521
Brugia malayi ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
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) glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania mexicana trypanothione reductase 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
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus granulosus thioredoxin glutathione 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
Plasmodium falciparum 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
Trypanosoma brucei gambiense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Brugia malayi Thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania major 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
Leishmania major trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
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
Neospora caninum MGC84926 protein, related Get druggable targets OG5_126785 All targets in OG5_126785
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 infantum trypanothione 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
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
Brugia malayi 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
Leishmania donovani trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Cryptosporidium hominis 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
Schistosoma mansoni DNA polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Plasmodium berghei thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Plasmodium knowlesi glutathione reductase, putative 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
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Neospora caninum Pc21g17280 protein, related 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
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus multilocularis thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma cruzi trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania mexicana 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
Trypanosoma congolense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) hypothetical protein 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
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative 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
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 yoelii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium yoelii glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Plasmodium knowlesi thioredoxin 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 granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Toxoplasma gondii ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative 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
Cryptosporidium parvum thioredoxin reductase 1 Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma congolense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Theileria parva 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 DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Loa Loa (eye worm) thioredoxin reductase 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
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin glutathione reductase   598 aa 513 aa 25.0 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Neospora caninum hypothetical protein Thioredoxin glutathione reductase   598 aa 485 aa 30.5 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin glutathione reductase   598 aa 512 aa 28.3 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 521 aa 21.5 %
Onchocerca volvulus Thioredoxin glutathione reductase   598 aa 533 aa 50.8 %
Neospora caninum glutathione reductase, putative Thioredoxin glutathione reductase   598 aa 532 aa 34.6 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 518 aa 22.0 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 538 aa 25.3 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin glutathione reductase   598 aa 555 aa 33.5 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin glutathione reductase   598 aa 537 aa 24.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0944 0.1953
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0944 0.1316
Loa Loa (eye worm) hypothetical protein 0.0043 0.0944 0.1953
Mycobacterium tuberculosis Conserved protein 0.0043 0.0944 0.0793
Toxoplasma gondii thioredoxin reductase 0.0046 0.1029 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0944 0.1953
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1399 0.195
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.4836 1
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.0944 0.0793
Toxoplasma gondii ABC1 family protein 0.0043 0.0944 0.8555
Mycobacterium tuberculosis Probable reductase 0.0104 0.3291 0.3179
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0944 0.6558
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1399 0.195
Onchocerca volvulus 0.0043 0.0944 0.5
Leishmania major DNA polymerase eta, putative 0.0038 0.0732 0.4775
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0116 0.3741 0.3636
Brugia malayi beta-lactamase family protein 0.0043 0.0944 0.1953
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0038 0.0732 0.4957
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1399 0.195
Brugia malayi hypothetical protein 0.002 0.0023 0.0048
Mycobacterium ulcerans beta-lactamase 0.0043 0.0944 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.1399 0.2892
Loa Loa (eye worm) hypothetical protein 0.003 0.044 0.091
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0023 0.0165 0.0229
Schistosoma mansoni hypothetical protein 0.0205 0.7173 1
Trypanosoma brucei DNA polymerase eta, putative 0.0054 0.1353 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0104 0.3291 0.3179
Plasmodium vivax glutathione reductase, putative 0.0046 0.1029 1
Plasmodium falciparum glutathione reductase 0.0046 0.1029 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.1053 0.1468
Schistosoma mansoni hypothetical protein 0.0041 0.0854 0.1191
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0944 0.6558
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.0944 0.0793
Schistosoma mansoni terminal deoxycytidyl transferase 0.0023 0.0165 0.0229
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0944 1
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.044 0.2319
Giardia lamblia DINP protein human, muc B family 0.0023 0.0165 0.5
Leishmania major hypothetical protein, conserved 0.003 0.044 0.2319
Leishmania major hypothetical protein, conserved 0.0043 0.0944 0.6558
Trypanosoma cruzi trypanothione reductase, putative 0.0046 0.1029 0.7274
Schistosoma mansoni DNA polymerase eta 0.0054 0.1353 0.1887
Loa Loa (eye worm) hypothetical protein 0.0043 0.0944 0.1953
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.1399 0.2892
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0104 0.3291 0.3179
Echinococcus multilocularis geminin 0.0205 0.7173 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.4836 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0944 0.1953
Echinococcus granulosus dna polymerase eta 0.0054 0.1353 0.1887
Loa Loa (eye worm) hypothetical protein 0.0054 0.1353 0.2799
Trichomonas vaginalis esterase, putative 0.0043 0.0944 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0944 0.1316
Brugia malayi glutathione reductase 0.0046 0.1029 0.2129
Echinococcus multilocularis dna polymerase eta 0.0054 0.1353 0.1887
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0023 0.0165 0.0229
Trypanosoma cruzi DNA polymerase eta, putative 0.0054 0.1353 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1399 0.195
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0104 0.3291 0.3179
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.044 0.2319
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0944 0.6558
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.1029 0.2129
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.0944 0.0793
Plasmodium falciparum thioredoxin reductase 0.0046 0.1029 1
Mycobacterium ulcerans hypothetical protein 0.0043 0.0944 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0104 0.3291 0.3179
Loa Loa (eye worm) hypothetical protein 0.0043 0.0944 0.1953
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0944 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0944 0.1953
Mycobacterium ulcerans lipase LipD 0.0043 0.0944 1
Brugia malayi hypothetical protein 0.003 0.044 0.091
Loa Loa (eye worm) hypothetical protein 0.0041 0.0854 0.1767
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0023 0.0165 0.0229
Schistosoma mansoni hypothetical protein 0.0205 0.7173 1
Loa Loa (eye worm) beta-lactamase 0.0043 0.0944 0.1953
Echinococcus granulosus dna polymerase kappa 0.0023 0.0165 0.0229
Brugia malayi Thioredoxin reductase 0.0046 0.1029 0.2129
Brugia malayi MH2 domain containing protein 0.0144 0.4836 1
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0944 1
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.0944 0.0793
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.0944 0.0793
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0944 1
Mycobacterium tuberculosis Conserved protein 0.0043 0.0944 0.0793
Leishmania major DNA polymerase eta, putative 0.0054 0.1353 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1591 0.3289
Mycobacterium tuberculosis Probable oxidoreductase 0.0116 0.3741 0.3636
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.1053 0.1468
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0944 0.1316
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0944 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.0944 0.0793
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0944 1
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0023 0.0165 0.034
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0104 0.3291 0.3179
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0944 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1399 0.195
Onchocerca volvulus 0.0043 0.0944 0.5
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0944 0.8555
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1591 0.3289
Brugia malayi beta-lactamase 0.0043 0.0944 0.1953
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0854 0.1767
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.0944 0.0793
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.044 0.2319
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1591 0.3289
Brugia malayi ImpB/MucB/SamB family protein 0.0054 0.1353 0.2799
Trypanosoma cruzi DNA polymerase eta, putative 0.0038 0.0732 0.4775
Brugia malayi beta-lactamase family protein 0.0043 0.0944 0.1953
Leishmania major trypanothione reductase 0.0046 0.1029 0.7274
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0104 0.3291 0.8393
Trypanosoma brucei trypanothione reductase 0.0046 0.1029 0.7274
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0116 0.3741 1
Loa Loa (eye worm) glutathione reductase 0.0046 0.1029 0.2129
Mycobacterium tuberculosis Conserved protein 0.0043 0.0944 0.0793
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.1029 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0944 0.1953
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0944 0.1316
Echinococcus multilocularis dna polymerase kappa 0.0023 0.0165 0.0229
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0165 0.034
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1399 0.195
Echinococcus granulosus geminin 0.0205 0.7173 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1399 0.195
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0116 0.3741 0.3636
Loa Loa (eye worm) hypothetical protein 0.006 0.1591 0.3289
Entamoeba histolytica deoxycytidyl transferase, putative 0.0023 0.0165 0.5
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0046 0.1029 0.0879
Onchocerca volvulus 0.0043 0.0944 0.5

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) > 91.243 uM PubChem BioAssay. Luminescence-based cell-based high throughput dose response assay to identify activators of the function of SWI/SNF related, matrix associated, actin dependent regulator of chromatin, subfamily a, member 2 (SMARCA2, BRM). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 0.631 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 (functional) 1 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) = 3.1623 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) 4.4668 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 7.3078 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.5821 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.1254 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) 14.1254 uM PubChem BioAssay. qHTS of GLP-1 Receptor Agonists. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.8489 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) 15.8489 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS of Nrf2 Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.081 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that induce genotoxicity in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493106, AID493143] ChEMBL. No reference
Potency (functional) 32.6427 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) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 39.8107 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) 56.2341 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

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens 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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