Detailed information for compound 1227122

Basic information

Technical information
  • TDR Targets ID: 1227122
  • Name: N-cyclohexyl-4-[(3-fluorobenzoyl)amino]piperi dine-1-carboxamide
  • MW: 347.427 | Formula: C19H26FN3O2
  • H donors: 2 H acceptors: 2 LogP: 2.99 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1cccc(c1)C(=O)NC1CCN(CC1)C(=O)NC1CCCCC1
  • InChi: 1S/C19H26FN3O2/c20-15-6-4-5-14(13-15)18(24)21-17-9-11-23(12-10-17)19(25)22-16-7-2-1-3-8-16/h4-6,13,16-17H,1-3,7-12H2,(H,21,24)(H,22,25)
  • InChiKey: ICSULBQCIAAEQW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-cyclohexyl-4-[[(3-fluorophenyl)-oxomethyl]amino]-1-piperidinecarboxamide
  • N-cyclohexyl-4-[(3-fluorophenyl)carbonylamino]piperidine-1-carboxamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens SMAD family member 2 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
Plasmodium vivax glutathione reductase, putative 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 mexicana trypanothione 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
Plasmodium yoelii glutathione 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
Plasmodium berghei thioredoxin reductase, 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 knowlesi glutathione reductase, putative 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
Cryptosporidium hominis 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
Brugia malayi 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
Theileria parva thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase 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
Neospora caninum Glutathione reductase, related Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Toxoplasma gondii thioredoxin 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
Babesia bovis thiodoxin 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
Echinococcus granulosus thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi Thioredoxin 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
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Trypanosoma cruzi trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium yoelii thioredoxin 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
Leishmania donovani 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
Loa Loa (eye worm) thioredoxin 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
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 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
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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.6 %
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.5 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.2 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin reductase 1, cytoplasmic   499 aa 506 aa 23.7 %
Leishmania braziliensis dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 488 aa 21.9 %
Leishmania major acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Leishmania braziliensis acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 22.8 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 462 aa 25.8 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 529 aa 31.8 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 539 aa 22.3 %
Leishmania infantum dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.3 %
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 22.3 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Leishmania donovani dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 454 aa 25.3 %
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 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Leishmania mexicana 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 452 aa 25.7 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.5 %
Neospora caninum glutathione reductase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 32.7 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.5 %
Plasmodium falciparum glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 500 aa 32.2 %
Onchocerca volvulus Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 57.3 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin reductase 1, cytoplasmic   499 aa 464 aa 24.8 %
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 460 aa 25.4 %
Trypanosoma brucei dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.4 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Leishmania infantum acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.2 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, point mutation,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.3 %
Leishmania braziliensis 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 450 aa 25.6 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.9 %
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 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 518 aa 24.9 %
Leishmania donovani acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Neospora caninum hypothetical protein Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni hypothetical protein 0.005 0.2088 0.1832
Brugia malayi Latrophilin receptor protein 2 0.005 0.2088 0.2464
Onchocerca volvulus 0.0029 0.0858 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0144 0.7754 0.7681
Loa Loa (eye worm) hypothetical protein 0.0156 0.8472 1
Echinococcus granulosus tar DNA binding protein 0.0067 0.3111 0.3761
Echinococcus multilocularis GPCR, family 2 0.005 0.2088 0.2385
Schistosoma mansoni hypothetical protein 0.005 0.2088 0.1832
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0.0336 1
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0336 1
Loa Loa (eye worm) thioredoxin reductase 0.0057 0.254 0.2951
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.7736 0.9126
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0144 0.7754 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.013 0.6906 0.8837
Loa Loa (eye worm) hypothetical protein 0.0029 0.0858 0.0952
Brugia malayi RNA binding protein 0.0067 0.3111 0.3673
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.002 0.0336 1
Brugia malayi latrophilin 2 splice variant baaae 0.0107 0.5517 0.6512
Plasmodium falciparum thioredoxin reductase 0.0057 0.254 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.005 0.2088 0.2385
Brugia malayi glutathione reductase 0.0057 0.254 0.2998
Onchocerca volvulus 0.0029 0.0858 0.5
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.005 0.2088 0.2385
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0029 0.0858 0.0952
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.013 0.6906 0.8837
Echinococcus multilocularis musashi 0.0029 0.0858 0.0732
Mycobacterium tuberculosis Probable reductase 0.013 0.6906 0.8837
Schistosoma mansoni tar DNA-binding protein 0.0067 0.3111 0.2888
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0145 0.7773 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0144 0.7754 0.7681
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0067 0.3111 0.363
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0144 0.7754 1
Brugia malayi TAR-binding protein 0.0067 0.3111 0.3673
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.002 0.0336 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0336 0.003
Echinococcus multilocularis lamin 0.0029 0.0858 0.0732
Echinococcus multilocularis tar DNA binding protein 0.0067 0.3111 0.3761
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0144 0.7754 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0144 0.7754 0.9152
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.0336 1
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.002 0.0313 0.037
Trypanosoma brucei trypanothione reductase 0.0057 0.254 1
Schistosoma mansoni hypothetical protein 0.005 0.2088 0.1832
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0336 0.003
Schistosoma mansoni ap endonuclease 0.002 0.0336 0.0023
Echinococcus granulosus intermediate filament protein 0.0029 0.0858 0.0732
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0145 0.7773 1
Schistosoma mansoni intermediate filament proteins 0.0029 0.0858 0.0562
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.002 0.0336 0.0101
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0057 0.254 0.2985
Plasmodium falciparum glutathione reductase 0.0057 0.254 1
Loa Loa (eye worm) glutathione reductase 0.0057 0.254 0.2951
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0144 0.7754 0.9147
Brugia malayi Calcitonin receptor-like protein seb-1 0.0156 0.8472 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.005 0.2088 0.2385
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0336 0.0397
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.013 0.6906 0.8837
Brugia malayi Intermediate filament tail domain containing protein 0.0029 0.0858 0.1013
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0145 0.7773 1
Schistosoma mansoni hypothetical protein 0.0107 0.5517 0.5372
Brugia malayi MH2 domain containing protein 0.0144 0.7736 0.9132
Mycobacterium tuberculosis Putative ferredoxin reductase 0.013 0.6906 0.8837
Mycobacterium tuberculosis Probable dehydrogenase 0.013 0.6906 0.8837
Toxoplasma gondii thioredoxin reductase 0.0057 0.254 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0144 0.7754 0.7681
Trypanosoma cruzi trypanothione reductase, putative 0.0057 0.254 1
Plasmodium vivax glutathione reductase, putative 0.0057 0.254 1
Schistosoma mansoni tar DNA-binding protein 0.0067 0.3111 0.2888
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0156 0.8472 1
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0336 0.0101
Schistosoma mansoni lamin 0.0029 0.0858 0.0562
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.002 0.0336 0.003
Brugia malayi cytoplasmic intermediate filament protein 0.0015 0.0057 0.0067
Schistosoma mansoni tar DNA-binding protein 0.0067 0.3111 0.2888
Plasmodium vivax thioredoxin reductase, putative 0.0057 0.254 1
Brugia malayi RNA recognition motif domain containing protein 0.0067 0.3111 0.3673
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.002 0.0336 0.0101
Echinococcus multilocularis lamin dm0 0.0029 0.0858 0.0732
Loa Loa (eye worm) hypothetical protein 0.005 0.2088 0.2413
Echinococcus granulosus lamin dm0 0.0029 0.0858 0.0732
Brugia malayi intermediate filament protein 0.0029 0.0858 0.1013
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0144 0.7754 1
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.002 0.0313 0.5
Toxoplasma gondii exonuclease III APE 0.002 0.0336 0.0101
Schistosoma mansoni tar DNA-binding protein 0.0067 0.3111 0.2888
Loa Loa (eye worm) RNA binding protein 0.0067 0.3111 0.363
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0336 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.005 0.2088 0.2385
Echinococcus granulosus GPCR family 2 0.005 0.2088 0.2385
Schistosoma mansoni lamin 0.0029 0.0858 0.0562
Leishmania major trypanothione reductase 0.0057 0.254 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.002 0.0336 0.0101
Mycobacterium tuberculosis Probable oxidoreductase 0.0145 0.7773 1
Entamoeba histolytica exodeoxyribonuclease III, putative 0.002 0.0336 0.5
Schistosoma mansoni tar DNA-binding protein 0.0067 0.3111 0.2888
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.7736 0.9126
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0156 0.8472 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0057 0.254 0.2993
Loa Loa (eye worm) TAR-binding protein 0.0067 0.3111 0.363
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.002 0.0336 0.0101
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0336 0.0332
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0336 0.0101
Brugia malayi Thioredoxin reductase 0.0057 0.254 0.2998
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.005 0.2088 0.2464
Loa Loa (eye worm) hypothetical protein 0.0107 0.5517 0.6488
Schistosoma mansoni ap endonuclease 0.002 0.0336 0.0023
Loa Loa (eye worm) intermediate filament protein 0.0029 0.0858 0.0952
Echinococcus granulosus lamin 0.0029 0.0858 0.0732
Echinococcus multilocularis thioredoxin glutathione reductase 0.0057 0.254 0.2993
Loa Loa (eye worm) latrophilin receptor protein 2 0.005 0.2088 0.2413
Schistosoma mansoni hypothetical protein 0.005 0.2088 0.1832
Loa Loa (eye worm) hypothetical protein 0.0028 0.0827 0.0915

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 5.6234 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) 12.5893 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) = 79.4328 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

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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