Detailed information for compound 1410123

Basic information

Technical information
  • TDR Targets ID: 1410123
  • Name: 2-[4-(furan-2-carbonyl)piperazine-1-carbonyl] -1,5-dimethylpyrrolo[3,2-c]quinolin-4-one
  • MW: 418.445 | Formula: C23H22N4O4
  • H donors: 0 H acceptors: 3 LogP: 1.54 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1cc2c(n1C)c1ccccc1n(c2=O)C)N1CCN(CC1)C(=O)c1ccco1
  • InChi: 1S/C23H22N4O4/c1-24-18(14-16-20(24)15-6-3-4-7-17(15)25(2)21(16)28)22(29)26-9-11-27(12-10-26)23(30)19-8-5-13-31-19/h3-8,13-14H,9-12H2,1-2H3
  • InChiKey: MQRZMQSDYCGHDC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1,5-dimethyl-pyrrolo[3,2-c]quinolin-4-one
  • 2-[[4-(2-furyl-oxomethyl)-1-piperazinyl]-oxomethyl]-1,5-dimethyl-4-pyrrolo[3,2-c]quinolinone
  • 2-(4-furan-2-ylcarbonylpiperazin-1-yl)carbonyl-1,5-dimethyl-pyrrolo[3,2-c]quinolin-4-one
  • MLS000118117
  • SMR000095065

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens pyruvate kinase, muscle Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma cruzi pyruvate kinase 2, putative Get druggable targets OG5_126685 All targets in OG5_126685
Cryptosporidium parvum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma japonicum ko:K00873 pyruvate kinase [EC2.7.1.40], putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania mexicana pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei gambiense pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania major pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma mansoni pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus granulosus pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium leprae Probable pyruvate kinase PykA Get druggable targets OG5_126685 All targets in OG5_126685
Trichomonas vaginalis pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium falciparum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium vivax pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Babesia bovis pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma mansoni pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Onchocerca volvulus Pyruvate kinase homolog Get druggable targets OG5_126685 All targets in OG5_126685
Giardia lamblia Pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei gambiense pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania braziliensis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania donovani pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Cryptosporidium hominis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania braziliensis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus granulosus pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium knowlesi pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Candida albicans pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Onchocerca volvulus Pyruvate kinase homolog Get druggable targets OG5_126685 All targets in OG5_126685
Toxoplasma gondii pyruvate kinase PyK1 Get druggable targets OG5_126685 All targets in OG5_126685
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Onchocerca volvulus Pyruvate kinase homolog Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania infantum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Chlamydia trachomatis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma cruzi pyruvate kinase 2, putative Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus multilocularis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trichomonas vaginalis pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Entamoeba histolytica pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma congolense pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Mycobacterium ulcerans pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Theileria parva pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium yoelii pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania major pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Brugia malayi Pyruvate kinase, M2 isozyme Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma brucei pyruvate kinase 1 Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania mexicana pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium tuberculosis Probable pyruvate kinase PykA Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) pyruvate kinase-PB Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum Pyruvate kinase (EC 2.7.1.40), related Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania infantum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium berghei pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Candida albicans pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Brugia malayi Pyruvate kinase, muscle isozyme Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma japonicum Pyruvate kinase isozyme R, putative Get druggable targets OG5_126685 All targets in OG5_126685
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Echinococcus granulosus pyruvate kinase pyruvate kinase, muscle 605 aa 521 aa 34.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus hyperpolarization activated cyclic 0.0054 0.0226 0.0758
Onchocerca volvulus Pyruvate kinase homolog 0.004 0.0107 1
Echinococcus granulosus pyruvate kinase 0.004 0.0107 0.0187
Onchocerca volvulus Pyruvate kinase homolog 0.004 0.0107 1
Echinococcus multilocularis hyperpolarization activated cyclic 0.0054 0.0226 0.0915
Echinococcus granulosus pyruvate kinase 0.004 0.0107 0.0187
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0036 0.0069 0.017
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0398 0.1436
Echinococcus multilocularis cAMP dependent protein kinase type I beta 0.0036 0.0069 0.017
Treponema pallidum cyclic nucleotide binding protein 0.0036 0.0069 0.5
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0398 0.0332
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0054 0.0226 0.0686
Plasmodium vivax pyruvate kinase, putative 0.004 0.0107 1
Leishmania major pyruvate kinase 0.004 0.0107 0.0039
Schistosoma mansoni voltage-gated potassium channel 0.0297 0.2364 1
Echinococcus multilocularis cGMP dependent protein kinase 1 0.0036 0.0069 0.017
Loa Loa (eye worm) pyruvate kinase 0.004 0.0107 0.0107
Chlamydia trachomatis pyruvate kinase 0.004 0.0107 1
Loa Loa (eye worm) pyruvate kinase 0.004 0.0107 0.0107
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0272 0.2144 1
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0079 0.0446 0.038
Echinococcus multilocularis cAMP dependent protein kinase regulatory 0.0036 0.0069 0.017
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0398 1
Loa Loa (eye worm) pyruvate kinase 0.004 0.0107 0.0107
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.015 0.0354
Echinococcus multilocularis cyclic nucleotide gated cation channel alpha 3 0.0054 0.0226 0.0915
Echinococcus multilocularis potassium:sodium hyperpolarization activated 0.0054 0.0226 0.0915
Loa Loa (eye worm) hypothetical protein 0.004 0.0107 0.0107
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.015 0.0556
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.015 0.0392
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.015 0.0556
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0272 0.2144 0.2144
Toxoplasma gondii hypothetical protein 0.0969 0.828 1
Trypanosoma brucei pyruvate kinase 1 0.004 0.0107 0.0039
Treponema pallidum catabolite gene activator (Crp) 0.0036 0.0069 0.5
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0054 0.0226 0.0226
Mycobacterium leprae Probable pyruvate kinase PykA 0.004 0.0107 1
Echinococcus granulosus voltage gated potassium channel 0.0079 0.0446 0.1816
Loa Loa (eye worm) hypothetical protein 0.0079 0.0446 0.0446
Schistosoma mansoni voltage-gated potassium channel 0.0079 0.0446 0.1643
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0054 0.0226 0.0686
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.015 0.0354
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0054 0.0226 0.0686
Plasmodium falciparum pyruvate kinase 0.004 0.0107 1
Loa Loa (eye worm) hypothetical protein 0.1164 1 1
Echinococcus multilocularis expressed conserved protein 0.0036 0.0069 0.017
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0054 0.0226 0.0758
Echinococcus granulosus potassium:sodium hyperpolarization activated 0.0054 0.0226 0.0758
Brugia malayi Cyclic-nucleotide gated cation channel 0.0054 0.0226 0.0158
Loa Loa (eye worm) hypothetical protein 0.0236 0.1828 0.1828
Entamoeba histolytica pyruvate kinase, putative 0.0028 0 0.5
Schistosoma mansoni voltage-gated potassium channel 0.0079 0.0446 0.1643
Schistosoma mansoni voltage-gated potassium channel 0.0297 0.2364 1
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0054 0.0226 0.0226
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.015 0.0392
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0036 0.0069 0.017
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.015 0.0354
Treponema pallidum cyclic nucleotide binding protein 0.0036 0.0069 0.5
Trypanosoma cruzi pyruvate kinase 2, putative 0.004 0.0107 0.0039
Mycobacterium ulcerans pyruvate kinase 0.004 0.0107 0.1176
Echinococcus multilocularis cAMP dependent protein kinase type II regulatory 0.0036 0.0069 0.017
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0254 0.1987 1
Loa Loa (eye worm) hypothetical protein 0.0595 0.499 0.499
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0398 0.1588
Echinococcus multilocularis pyruvate kinase 0.004 0.0107 0.0354
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0054 0.0226 0.0758
Echinococcus multilocularis hyperpolarization activated cyclic 0.0054 0.0226 0.0915
Brugia malayi Pyruvate kinase, muscle isozyme 0.004 0.0107 0.0039
Onchocerca volvulus Pyruvate kinase homolog 0.004 0.0107 1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0079 0.0446 0.1816
Echinococcus granulosus hyperpolarization activated cyclic 0.0054 0.0226 0.0758
Schistosoma mansoni 60S ribosomal protein L21 0.0043 0.013 0.0267
Loa Loa (eye worm) AGC/PKG protein kinase 0.0036 0.0069 0.0069
Loa Loa (eye worm) hypothetical protein 0.0054 0.0226 0.0226
Loa Loa (eye worm) hypothetical protein 0.0036 0.0069 0.0069
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0398 1
Leishmania major pyruvate kinase 0.004 0.0107 0.0039
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0054 0.0226 0.0915
Giardia lamblia Pyruvate kinase 0.004 0.0107 1
Trichomonas vaginalis pyruvate kinase, putative 0.004 0.0107 0.0202
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0079 0.0446 0.1956
Loa Loa (eye worm) hypothetical protein 0.0969 0.828 0.828
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0254 0.1987 1
Echinococcus granulosus cyclic nucleotide gated cation channel alpha 3 0.0054 0.0226 0.0758
Trypanosoma brucei pyruvate kinase 1, putative 0.004 0.0107 0.0039
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0398 0.1731
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0272 0.2144 0.209
Loa Loa (eye worm) hypothetical protein 0.0036 0.0069 0.0069
Echinococcus multilocularis patatin phospholipase domain containing protein 0.0036 0.0069 0.017
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0054 0.0226 0.0686
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0272 0.2144 1
Trichomonas vaginalis pyruvate kinase, putative 0.004 0.0107 0.0202
Loa Loa (eye worm) hypothetical protein 0.0969 0.828 0.828
Treponema pallidum catabolite gene activator 0.0036 0.0069 0.5
Echinococcus multilocularis cGMP dependent protein kinase 1 0.0036 0.0069 0.017
Echinococcus multilocularis pyruvate kinase 0.004 0.0107 0.0354
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.015 0.015
Trypanosoma cruzi C-8 sterol isomerase, putative 0.1164 1 1
Loa Loa (eye worm) inward rectifying k channel family protein 1 0.0969 0.828 0.828
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0054 0.0226 0.0686
Trypanosoma brucei C-8 sterol isomerase, putative 0.1164 1 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0054 0.0226 0.082
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.004 0.0107 0.1176
Loa Loa (eye worm) cAMP-dependent protein kinase regulatory subunit 0.0036 0.0069 0.0069
Leishmania major C-8 sterol isomerase-like protein 0.1164 1 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.0398 1
Toxoplasma gondii pyruvate kinase PyK1 0.004 0.0107 0.0047
Echinococcus multilocularis voltage gated potassium channel 0.0079 0.0446 0.1956
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0398 1
Schistosoma mansoni pyruvate kinase 0.004 0.0107 0.0169
Schistosoma mansoni voltage-gated potassium channel 0.0054 0.0226 0.0686
Schistosoma mansoni voltage-gated potassium channel 0.0043 0.013 0.0267
Brugia malayi Pyruvate kinase, M2 isozyme 0.004 0.0107 0.0039
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.015 0.0082
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0398 0.1436
Schistosoma mansoni pyruvate kinase 0.004 0.0107 0.0169
Trypanosoma cruzi pyruvate kinase 2, putative 0.004 0.0107 0.0039
Loa Loa (eye worm) hypothetical protein 0.0969 0.828 0.828
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0398 0.0401
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0054 0.0226 0.082

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 4.1475 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) = 17.7828 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 17.7828 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) [Related pubchem assays: 1379 ] ChEMBL. No reference
Potency (functional) = 19.9526 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) 20.5962 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] 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
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

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
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

No literature references available for this target.

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