Detailed information for compound 511504

Basic information

Technical information
  • TDR Targets ID: 511504
  • Name: N-[(2-ethoxyphenyl)methyl]-4-methylfuro[3,2-b ]pyrrole-5-carboxamide
  • MW: 298.336 | Formula: C17H18N2O3
  • H donors: 1 H acceptors: 1 LogP: 2.6 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccccc1CNC(=O)c1cc2c(n1C)cco2
  • InChi: 1S/C17H18N2O3/c1-3-21-15-7-5-4-6-12(15)11-18-17(20)14-10-16-13(19(14)2)8-9-22-16/h4-10H,3,11H2,1-2H3,(H,18,20)
  • InChiKey: WITLFDWLMRGSPW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[(2-ethoxyphenyl)methyl]-4-methyl-furo[3,2-b]pyrrole-5-carboxamide
  • N-[(2-ethoxyphenyl)methyl]-4-methyl-5-furo[3,2-b]pyrrolecarboxamide
  • N-(2-ethoxybenzyl)-4-methyl-furo[3,2-b]pyrrole-5-carboxamide
  • N-[(2-ethoxyphenyl)methyl]-4-methylfuro[2,3-d]pyrrole-5-carboxamide
  • N-[(2-ethoxyphenyl)methyl]-4-methyl-furo[2,3-d]pyrrole-5-carboxamide
  • N-[(2-ethoxyphenyl)methyl]-4-methyl-5-furo[2,3-d]pyrrolecarboxamide
  • N-(2-ethoxybenzyl)-4-methyl-furo[2,3-d]pyrrole-5-carboxamide
  • MLS000119636
  • SMR000096557

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
Homo sapiens mitogen-activated protein kinase 1 Starlite/ChEMBL No references
Homo sapiens arachidonate 15-lipoxygenase Starlite/ChEMBL No references
Homo sapiens chromobox homolog 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum MAPK, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Chromobox protein homolog 5, putative Get druggable targets OG5_129545 All targets in OG5_129545
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi MAP kinase sur-1 Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), 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
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein 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
Onchocerca volvulus Heterochromatin protein 1 homolog Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis ap endonuclease, putative 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
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus multilocularis mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania donovani mitogen activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum ko:K04371 extracellular signal-regulated kinase 1/2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Cryptosporidium hominis MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi Heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein 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
Onchocerca volvulus Get druggable targets OG5_129545 All targets in OG5_129545
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei gambiense mitogen-activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana mitogen-activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) exodeoxyribonuclease III family protein 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
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Kinase, CMGC MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania braziliensis mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440,map kinase Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, 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
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 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
Schistosoma mansoni ap endonuclease 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
Candida albicans MAP kinase implicated in PKC1-controlled signalling pathway Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania major mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase 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
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania braziliensis mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania donovani mitogen-activated protein kinase 4 Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense protein kinase, putative,tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Leishmania infantum mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen activated protein kinase 2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus arachidonate 5 lipoxygenase arachidonate 15-lipoxygenase 662 aa 590 aa 23.9 %
Trypanosoma brucei mitogen-activated protein kinase 5 mitogen-activated protein kinase 1 360 aa 361 aa 33.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Giardia lamblia Kinase, CMGC MAPK 0.0062 0.632 1
Brugia malayi Doublecortin family protein 0.0024 0.0179 0.0179
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.3981 0.3981
Schistosoma mansoni rab6-interacting 0.0024 0.0179 0.0179
Plasmodium falciparum LCCL domain-containing protein 0.0024 0.0179 1
Echinococcus granulosus chromobox protein 1 0.0084 1 1
Trichomonas vaginalis chromobox protein, putative 0.0084 1 1
Brugia malayi hypothetical protein 0.0024 0.0179 0.0179
Echinococcus granulosus lipoxygenase domain containing protein 0.0024 0.0179 0.0179
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0 0.5
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0062 0.632 0.632
Loa Loa (eye worm) hypothetical protein 0.0024 0.0179 0.0179
Loa Loa (eye worm) hypothetical protein 0.0037 0.2322 0.2322
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0 0.5
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0062 0.632 1
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.632 0.632
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0051 0.4564 1
Trichomonas vaginalis chromobox protein, putative 0.0051 0.4564 0.4564
Loa Loa (eye worm) hypothetical protein 0.0024 0.0179 0.0179
Echinococcus granulosus lipoxygenase domain containing protein 0.0024 0.0179 0.0179
Echinococcus multilocularis Polycystic kidney disease protein 0.0024 0.0179 0.0179
Schistosoma mansoni lipoxygenase 0.0024 0.0179 0.0179
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0067 0.7156 0.7156
Schistosoma mansoni serine/threonine protein kinase 0.0062 0.632 0.632
Schistosoma mansoni chromobox protein 0.0084 1 1
Echinococcus multilocularis mitogen activated protein kinase 3 0.0062 0.632 0.632
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0062 0.632 1
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.1739 0.1739
Echinococcus multilocularis lipoxygenase domain containing protein 0.0024 0.0179 0.0179
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0047 0.3981 0.867
Trichomonas vaginalis chromobox protein, putative 0.0084 1 1
Loa Loa (eye worm) doublecortin family protein 0.0024 0.0179 0.0179
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.632 1
Echinococcus multilocularis mitogen activated protein kinase 0.0062 0.632 0.632
Echinococcus granulosus mitogen activated protein kinase 3 0.0062 0.632 0.632
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.632 0.632
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0062 0.632 1
Schistosoma mansoni rab6-interacting 0.0024 0.0179 0.0179
Plasmodium vivax multidomain scavenger receptor, putative 0.0024 0.0179 1
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.632 0.632
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0 0.5
Loa Loa (eye worm) heterochromatin protein 1 0.0084 1 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0 0.5
Brugia malayi chromobox protein homolog 3 0.0047 0.3981 0.3981
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.632 1
Schistosoma mansoni lipoxygenase 0.0067 0.7156 0.7156
Brugia malayi MAP kinase sur-1 0.0062 0.632 0.632
Brugia malayi hypothetical protein 0.0024 0.0179 0.0179
Echinococcus granulosus mitogen activated protein kinase 0.0062 0.632 0.632
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0062 0.632 1
Echinococcus granulosus chromobox protein 1 0.0084 1 1
Onchocerca volvulus 0.0037 0.2322 0.4887
Schistosoma mansoni loxhd1 0.0024 0.0179 0.0179
Echinococcus granulosus RUN 0.0024 0.0179 0.0179
Echinococcus granulosus Polycystic kidney disease protein 0.0024 0.0179 0.0179
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0062 0.632 1
Echinococcus multilocularis chromobox protein 1 0.0084 1 1
Loa Loa (eye worm) hypothetical protein 0.0047 0.3981 0.3981
Schistosoma mansoni polycystin 1-related 0.0024 0.0179 0.0179
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0067 0.7156 0.7156
Schistosoma mansoni chromobox protein 0.0084 1 1
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0062 0.632 1
Echinococcus multilocularis RUN 0.0024 0.0179 0.0179
Trichomonas vaginalis chromobox protein, putative 0.0051 0.4564 0.4564
Echinococcus multilocularis lipoxygenase domain containing protein 0.0024 0.0179 0.0179
Schistosoma mansoni hypothetical protein 0.0024 0.0179 0.0179
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.1739 0.1739
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.632 0.632
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.3981 0.3981
Echinococcus multilocularis chromobox protein 1 0.0084 1 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0 0.5
Trypanosoma brucei protein kinase, putative 0.0062 0.632 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) Inhibition of cruzain (unknown origin) in presence of 0.01% Triton X-100 ChEMBL. 18333608
IC50 (binding) Inhibition of cruzain (unknown origin) ChEMBL. 18333608
IC50 (binding) 0 Inhibition of ChEMBL. 18333608
IC50 (binding) 0 Inhibition of chymotrypsin (unknown origin) ChEMBL. 18333608
IC50 (binding) 0 Inhibition of chymotrypsin (unknown origin) in presence of 0.1% Triton X-100 ChEMBL. 18333608
IC50 (binding) 0 Inhibition of malate dehydrogenase (unknown origin) ChEMBL. 18333608
IC50 (binding) 0 Inhibition of malate dehydrogenase (unknown origin) in presence of 0.1% Triton X-100 ChEMBL. 18333608
IC50 (binding) 0 Inhibition of cruzain (unknown origin) ChEMBL. 18333608
IC50 (binding) 0 Inhibition of cruzain (unknown origin) in presence of 0.01% Triton X-100 ChEMBL. 18333608
IC50 (binding) > 600 uM Inhibition of beta-lactamase AmpC (unknown origin) ChEMBL. 18333608
Potency (functional) 2.0787 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 3.1623 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) 10 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 17.7828 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) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 15-hLO (15-human lipoxygenase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 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 (binding) = 28.1838 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) = 50.1187 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) = 56.2341 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

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
Plasmodium falciparum ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.