Detailed information for compound 1396773

Basic information

Technical information
  • TDR Targets ID: 1396773
  • Name: AG-219/37264004
  • MW: 333.265 | Formula: C16H10F3N3O2
  • H donors: 1 H acceptors: 4 LogP: 3.06 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)c1nn2c(c1)nc1c(c2C(F)(F)F)CCc2c1cccc2
  • InChi: 1S/C16H10F3N3O2/c17-16(18,19)14-10-6-5-8-3-1-2-4-9(8)13(10)20-12-7-11(15(23)24)21-22(12)14/h1-4,7H,5-6H2,(H,23,24)
  • InChiKey: DCKWLYGFBWFABD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • BIM-0034533.P001
  • CBMicro_034278
  • MLS000109262
  • SMR000105207
  • STK343673

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0118 1
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0005 0.0005 0.0005
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0007 0.0018 0.0018
Plasmodium vivax calcium-dependent protein kinase, putative 0.0094 0.0562 0.0557
Schistosoma mansoni synaptojanin 0.0005 0.0005 0.0005
Echinococcus multilocularis inositol polyphosphate 5 phosphatase OCRL 1 0.0005 0.0005 0.0005
Schistosoma mansoni ap endonuclease 0.0023 0.0118 0.0118
Echinococcus multilocularis growth factor receptor bound protein 2 0.0006 0.0013 0.0013
Plasmodium vivax calcium-dependent protein kinase 3, putative 0.0094 0.0562 0.0557
Schistosoma mansoni tyrosine kinase 0.0007 0.0018 0.0018
Entamoeba histolytica endonuclease/exonuclease/phosphatase family protein 0.0005 0.0005 0.0094
Loa Loa (eye worm) CAMK/CAMK2 protein kinase 0.0094 0.0562 0.0562
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0007 0.0018 0.0018
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0005 0.0005 0.0005
Echinococcus granulosus inositol polyphosphate 5 phosphatase OCRL 1 0.0005 0.0005 0.0005
Schistosoma mansoni adapter molecule crk 0.0006 0.0013 0.0013
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0005 0.0005 0.0005
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0007 0.0018 0.0018
Echinococcus granulosus tyrosine protein kinase Fyn 0.0007 0.0018 0.0018
Plasmodium falciparum calcium-dependent protein kinase 2 0.0094 0.0562 0.0557
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0005 0.0005 0.0005
Echinococcus multilocularis c src tyrosine kinase 0.0007 0.0018 0.0018
Loa Loa (eye worm) hypothetical protein 0.0006 0.0013 0.0013
Echinococcus granulosus neutral sphingomyelinase 0.0005 0.0005 0.0005
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0007 0.0018 0.0018
Entamoeba histolytica inositol polyphosphate-5-phosphatase, putative 0.0005 0.0005 0.0094
Brugia malayi Variant SH3 domain containing protein 0.0006 0.0013 0.0013
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0094 0.0562 0.0562
Echinococcus multilocularis tyrosine protein kinase ABL1 0.0203 0.124 0.124
Schistosoma mansoni growth factor receptor-bound protein 0.0006 0.0013 0.0013
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0005 0.0005 0.0005
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0118 0.0118
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0007 0.0018 0.0018
Leishmania major protein kinase, putative 0.0094 0.0562 0.0557
Echinococcus granulosus CCR4 NOT transcription complex subunit 6 0.0005 0.0005 0.0005
Brugia malayi Variant SH3 domain containing protein 0.0006 0.0013 0.0013
Schistosoma mansoni ocrl type II inositol 5-phosphatase 0.0005 0.0005 0.0005
Loa Loa (eye worm) hypothetical protein 0.0077 0.0456 0.0456
Echinococcus granulosus c src tyrosine kinase 0.0007 0.0018 0.0018
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0118 0.0237
Loa Loa (eye worm) endonuclease/Exonuclease/phosphatase 0.0005 0.0005 0.0005
Schistosoma mansoni tyrosine kinase 0.0007 0.0018 0.0018
Loa Loa (eye worm) endonuclease/Exonuclease/phosphatase 0.0005 0.0005 0.0005
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0094 0.0562 0.0562
Entamoeba histolytica endonuclease/exonuclease/phosphatase domain containing protein 0.0005 0.0005 0.0094
Schistosoma mansoni protein kinase 0.0094 0.0562 0.0562
Schistosoma mansoni tyrosine kinase 0.0007 0.0018 0.0018
Echinococcus multilocularis synaptojanin 1 0.0005 0.0005 0.0005
Echinococcus granulosus growth factor receptor bound protein 2 0.0006 0.0013 0.0013
Toxoplasma gondii calcium-dependent protein kinase CDPK3 0.0094 0.0562 0.0557
Schistosoma mansoni synaptojanin 0.0005 0.0005 0.0005
Onchocerca volvulus 0.0005 0.0005 0.0005
Entamoeba histolytica endonuclease/exonuclease/phosphatase domain containing protein 0.0005 0.0005 0.0094
Entamoeba histolytica endonuclease/exonuclease/phosphatase family protein 0.0005 0.0005 0.0094
Plasmodium falciparum calcium-dependent protein kinase 1 0.0094 0.0562 0.0557
Echinococcus multilocularis NCK adaptor protein 0.0006 0.0013 0.0013
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0005 0.0005 0.0005
Onchocerca volvulus Putative neutral sphingomyelinase 0.0005 0.0005 0.0005
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0118 0.0237
Echinococcus granulosus tyrosine protein kinase Fyn 0.0007 0.0018 0.0018
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0005 0.0005 0.0005
Loa Loa (eye worm) SRC-1 0.0007 0.0018 0.0018
Entamoeba histolytica inositol polyphosphate 5-phosphatase, putative 0.0005 0.0005 0.0094
Plasmodium vivax calcium-dependent protein kinase 4, putative 0.0094 0.0562 0.0557
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0005 0.0005 0.0005
Echinococcus granulosus NCK adaptor protein 0.0006 0.0013 0.0013
Brugia malayi SRC-1 0.0007 0.0018 0.0018
Echinococcus granulosus synaptojanin 1 0.0005 0.0005 0.0005
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0118 0.0118
Brugia malayi Sex muscle abnormal protein 5 0.0006 0.0013 0.0013
Loa Loa (eye worm) calcium/calmodulin-dependent protein kinase ID 0.0094 0.0562 0.0562
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0094 0.0562 0.0562
Toxoplasma gondii calcium-dependent protein kinase CDPK2B 0.0094 0.0562 0.0557
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0007 0.0018 0.0018
Echinococcus multilocularis CCR4 NOT transcription complex subunit 6 0.0005 0.0005 0.0005
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0006 0.0013 0.0013
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0007 0.0018 0.0018
Brugia malayi Calcium/calmodulin-dependent protein kinase type II alpha chain 0.0094 0.0562 0.0562
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0007 0.0018 0.0018
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0007 0.0018 0.0018
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0118 0.0118
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.0768 0.4745 0.4742
Schistosoma mansoni tyrosine kinase 0.0201 0.1222 0.1222
Entamoeba histolytica protein kinase, putative 0.0005 0.0007 0.0119
Toxoplasma gondii exonuclease III APE 0.0023 0.0118 0.0113
Brugia malayi hypothetical protein 0.0768 0.4745 0.4745
Loa Loa (eye worm) endonuclease/Exonuclease/phosphatase 0.0005 0.0005 0.0005
Entamoeba histolytica sphingomyelinase C precursor, putative 0.0005 0.0005 0.0094
Onchocerca volvulus 0.0005 0.0006 0.0006
Schistosoma mansoni hypothetical protein 0.0005 0.0005 0.0005
Brugia malayi Tyrosine-protein kinase abl-1 0.0123 0.0743 0.0743
Schistosoma mansoni growth factor receptor-bound protein 0.0006 0.0013 0.0013
Entamoeba histolytica endonuclease/exonuclease/phosphatase family protein 0.0005 0.0005 0.0094
Plasmodium vivax calcium-dependent protein kinase 1, putative 0.0094 0.0562 0.0557
Echinococcus granulosus tyrosine protein kinase ABL1 0.0203 0.124 0.124
Plasmodium falciparum calcium-dependent protein kinase 3 0.0094 0.0562 0.0557
Echinococcus granulosus calcium dependent protein kinase 0.0092 0.0551 0.0551
Echinococcus granulosus tyrosine protein kinase Src42A 0.0007 0.0018 0.0018
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.0118 0.0113
Schistosoma mansoni nck2/grb4 0.0006 0.0013 0.0013
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0118 0.0118
Entamoeba histolytica SH2-protein kinase domain containing protein 0.0005 0.0007 0.0119
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0007 0.0018 0.0018
Loa Loa (eye worm) hypothetical protein 0.0094 0.0562 0.0562
Echinococcus granulosus tyrosine protein kinase Src64B 0.0007 0.0018 0.0018
Trypanosoma brucei calcium/calmodulin-dependent protein kinase, putative 0.0094 0.0562 0.0557
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0094 0.0562 0.0562
Mycobacterium tuberculosis Hypothetical protein 0.0768 0.4745 0.4742
Echinococcus multilocularis calcium dependent protein kinase 0.0092 0.0551 0.0551
Schistosoma mansoni protein kinase 0.0094 0.0562 0.0562
Schistosoma mansoni tyrosine kinase 0.0007 0.0018 0.0018
Loa Loa (eye worm) endonuclease/Exonuclease/phosphatase 0.0005 0.0005 0.0005
Schistosoma mansoni carbon catabolite repressor protein 0.0005 0.0005 0.0005
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.0118 1
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0007 0.0018 0.0018
Schistosoma mansoni neutral sphingomyelinase 0.0005 0.0005 0.0005
Toxoplasma gondii calcium-dependent protein kinase CDPK2A 0.0094 0.0562 0.0557
Brugia malayi Cam kinase protein 1 0.0094 0.0562 0.0562
Schistosoma mansoni protein kinase 0.0094 0.0562 0.0562
Entamoeba histolytica endonuclease/exonuclease/phosphatase family protein 0.0005 0.0005 0.0094
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0005 0.0005 0.0005
Echinococcus granulosus traf and tnf receptor associated protein 0.0005 0.0005 0.0005
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.0118 0.2097
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 1 0.0094 0.0562 0.0562
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0007 0.0018 0.0018
Echinococcus multilocularis deoxyribonuclease 1 2 0.0005 0.0005 0.0005
Echinococcus multilocularis neutral sphingomyelinase 0.0005 0.0005 0.0005
Onchocerca volvulus 0.0005 0.0005 0.0005
Schistosoma mansoni nocturnin 0.0005 0.0005 0.0005
Loa Loa (eye worm) TK/ABL protein kinase 0.0203 0.124 0.124
Entamoeba histolytica endonuclease/exonuclease/phosphatase family protein 0.0005 0.0005 0.0094
Brugia malayi CCR4 0.0005 0.0005 0.0005
Echinococcus multilocularis traf and tnf receptor associated protein 0.0005 0.0005 0.0005
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.0118 0.0113
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0118 0.5
Schistosoma mansoni ap endonuclease 0.0023 0.0118 0.0118
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0118 0.0113
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.0118 0.0113
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0094 0.0562 0.0562
Echinococcus multilocularis tyrosine protein kinase Abl 0.0083 0.0492 0.0492
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.0118 0.0113
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0094 0.0562 0.0562
Entamoeba histolytica endonuclease/exonuclease/phosphatase family protein 0.0005 0.0005 0.0094
Loa Loa (eye worm) hypothetical protein 0.0005 0.0005 0.0005
Brugia malayi Tyrosine-protein kinase abl-1 0.0083 0.0492 0.0492
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0118 0.0113
Trichomonas vaginalis conserved hypothetical protein 0.0768 0.4745 1
Loa Loa (eye worm) hypothetical protein 0.0005 0.0005 0.0005
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.0118 0.0113
Plasmodium falciparum calcium-dependent protein kinase 5 0.0094 0.0562 0.0557
Schistosoma mansoni serine/threonine protein kinase 0.0094 0.0562 0.0562
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0094 0.0562 0.0562
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.0562 0.1175
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0005 0.0005 0.0005
Loa Loa (eye worm) hypothetical protein 0.0005 0.0005 0.0005
Entamoeba histolytica protein kinase, putative 0.0094 0.0562 1
Loa Loa (eye worm) endonuclease/Exonuclease/phosphatase 0.0005 0.0005 0.0005
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0007 0.0018 0.0018
Entamoeba histolytica protein kinase, putative 0.0094 0.0562 1
Schistosoma mansoni proto-oncogene tyrosine-protein kinase abl1 0.0006 0.0013 0.0013
Echinococcus granulosus tyrosine protein kinase Fyn 0.0007 0.0018 0.0018
Echinococcus granulosus tyrosine protein kinase Lyn 0.0008 0.0029 0.0029
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0007 0.0018 0.0018
Loa Loa (eye worm) hypothetical protein 0.0005 0.0005 0.0005
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0005 0.0005 0.0005
Schistosoma mansoni cript-related 0.0005 0.0005 0.0005
Loa Loa (eye worm) sex muscle abnormal protein 5 0.0006 0.0013 0.0013
Loa Loa (eye worm) CCR4-NOT transcription complex subunit 6 family protein 0.0005 0.0005 0.0005
Plasmodium falciparum calcium-dependent protein kinase 4 0.0094 0.0562 0.0557

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.5481 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 21.3349 uM PubChem BioAssay. qHTS for Inhibitors of the Phosphatase Activity of Eya2: Confirmatory Assay for Cherry-picked Compounds. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) = 112.2018 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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