Detailed information for compound 1419761

Basic information

Technical information
  • TDR Targets ID: 1419761
  • Name: methyl 3-(4-hydroxyphenyl)-1-methyl-5-(4-meth ylphenyl)-4,6-dioxo-2,3,3a,6a-tetrahydropyrro lo[3,4-c]pyrrole-1-carboxylate
  • MW: 394.42 | Formula: C22H22N2O5
  • H donors: 2 H acceptors: 4 LogP: 1.8 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)C1(C)NC(C2C1C(=O)N(C2=O)c1ccc(cc1)C)c1ccc(cc1)O
  • InChi: 1S/C22H22N2O5/c1-12-4-8-14(9-5-12)24-19(26)16-17(20(24)27)22(2,21(28)29-3)23-18(16)13-6-10-15(25)11-7-13/h4-11,16-18,23,25H,1-3H3
  • InChiKey: BXNIWTHCKAVZLL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-(4-hydroxyphenyl)-1-methyl-5-(4-methylphenyl)-4,6-dioxo-2,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid methyl ester
  • 3-(4-hydroxyphenyl)-4,6-diketo-1-methyl-5-(4-methylphenyl)-2,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid methyl ester
  • ASN 06211786

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Trypanosoma brucei Metacaspase-4 0.0031 0.0588 0.3691
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0224 0.1152
Schistosoma mansoni hypothetical protein 0.0016 0.0158 0.0747
Echinococcus granulosus caspase 2 0.0031 0.0588 0.3361
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0031 0.0588 0.0562
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0158 0.022
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.0193 0.5237 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0757 0.4385
Schistosoma mansoni ap endonuclease 0.0019 0.0224 0.1152
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0224 0.3813
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0224 0.0863
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0538 0.3058
Echinococcus multilocularis lamin dm0 0.0032 0.0603 0.3449
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0031 0.0588 0.0562
Echinococcus multilocularis caspase 3, apoptosis cysteine peptidase 0.0031 0.0588 0.3361
Toxoplasma gondii exonuclease III APE 0.0019 0.0224 0.3813
Trypanosoma brucei metacaspase MCA2 0.0031 0.0588 0.3691
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0757 0.4385
Loa Loa (eye worm) hypothetical protein 0.0015 0.0114 0.0142
Loa Loa (eye worm) hypothetical protein 0.0031 0.0586 0.099
Entamoeba histolytica hypothetical protein 0.0037 0.0757 0.0545
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0344 0.9583 1
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0168 0.4523 1
Leishmania major hypothetical protein, conserved 0.0059 0.14 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0538 0.9151
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0996 0.5839
Entamoeba histolytica hypothetical protein 0.0102 0.2623 0.2454
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.1168 0.2035
Loa Loa (eye worm) hypothetical protein 0.0015 0.013 0.0172
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0158 0.0221
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0344 0.9583 0.9574
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0158 0.022
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0168 0.4523 1
Trypanosoma brucei metacaspase 0.0031 0.0588 0.3691
Loa Loa (eye worm) BRM protein 0.0044 0.0962 0.1665
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0344 0.9583 1
Onchocerca volvulus Cell death protein 3 homolog 0.0031 0.0588 0.0085
Schistosoma mansoni hypothetical protein 0.0012 0.0035 0.0002
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0224 0.0341
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.0224 0.0217
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0168 0.4523 0.8606
Brugia malayi Cytochrome P450 family protein 0.0015 0.0113 0.0141
Giardia lamblia Fructose-bisphosphate aldolase 0.0344 0.9583 0.9574
Loa Loa (eye worm) hypothetical protein 0.0032 0.0603 0.102
Echinococcus multilocularis GPCR, family 2 0.0016 0.0158 0.0747
Brugia malayi Isocitrate dehydrogenase 0.0016 0.0158 0.0222
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0031 0.0588 1
Echinococcus multilocularis 0.0015 0.0113 0.0479
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.0158 0.2691
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0031 0.0588 0.0562
Trypanosoma cruzi metacaspase, putative 0.0031 0.0588 0.3691
Schistosoma mansoni caspase-7 (C14 family) 0.0031 0.0588 0.3361
Trypanosoma cruzi metacaspase 5, putative 0.0031 0.0588 0.3691
Trichomonas vaginalis conserved hypothetical protein 0.0031 0.0588 0.0562
Plasmodium vivax hypothetical protein, conserved 0.0031 0.0588 1
Echinococcus multilocularis lamin 0.0032 0.0603 0.3449
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0224 0.034
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0224 0.1152
Entamoeba histolytica hypothetical protein 0.0037 0.0757 0.0545
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0224 0.0863
Schistosoma mansoni hypothetical protein 0.0016 0.0158 0.0747
Trichomonas vaginalis conserved hypothetical protein 0.0031 0.0588 0.0562
Loa Loa (eye worm) hypothetical protein 0.0016 0.0158 0.0221
Schistosoma mansoni caspase-7 (C14 family) 0.0031 0.0588 0.3361
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0224 0.5
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0158 0.0747
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.0193 0.5237 0.9339
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0158 0.0349
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0031 0.0588 0.0562
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0996 0.1726
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0996 0.5839
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0158 0.0747
Trichomonas vaginalis set domain proteins, putative 0.0234 0.6423 0.6684
Trypanosoma cruzi metacaspase, putative 0.0031 0.0588 0.3691
Echinococcus granulosus Chromo domain 0.0012 0.0035 0.0002
Trypanosoma cruzi hypothetical protein, conserved 0.0059 0.14 1
Trichomonas vaginalis conserved hypothetical protein 0.0031 0.0588 0.0562
Loa Loa (eye worm) intermediate filament protein 0.0032 0.0603 0.102
Trypanosoma brucei low molecular weight protein tyrosine phosphatase, putative 0.0059 0.14 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0344 0.9583 1
Brugia malayi intermediate filament protein 0.0032 0.0603 0.1019
Echinococcus multilocularis caspase 8 0.0031 0.0588 0.3361
Schistosoma mansoni caspase-3 (C14 family) 0.0031 0.0588 0.3361
Toxoplasma gondii SWI2/SNF2 Brahma-like putative 0.0013 0.0053 0.0895
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0016 0.0158 0.2691
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0031 0.0588 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0996 0.5839
Brugia malayi Cytochrome P450 family protein 0.0015 0.0113 0.0141
Schistosoma mansoni intermediate filament proteins 0.0032 0.0603 0.3449
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0538 0.3058
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0016 0.0158 0.0349
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0179 0.0259
Echinococcus multilocularis Chromo domain 0.0012 0.0035 0.0002
Onchocerca volvulus 0.0234 0.6423 1
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0016 0.0158 0.0102
Schistosoma mansoni subfamily C14A unassigned peptidase (C14 family) 0.0031 0.0588 0.3361
Treponema pallidum fructose-bisphosphate aldolase 0.0344 0.9583 1
Entamoeba histolytica Rad52/22 family double-strand break repair protein, putative 0.0102 0.2623 0.2454
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0996 0.5839
Schistosoma mansoni lamin 0.0032 0.0603 0.3449
Loa Loa (eye worm) BRM protein 0.0036 0.072 0.123
Echinococcus granulosus lamin 0.0032 0.0603 0.3449
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0031 0.0588 0.0562
Echinococcus granulosus intermediate filament protein 0.0032 0.0603 0.3449
Loa Loa (eye worm) hypothetical protein 0.0035 0.07 0.1195
Brugia malayi BRM protein 0.0069 0.1682 0.2956
Loa Loa (eye worm) isocitrate dehydrogenase 0.0016 0.0158 0.0222
Brugia malayi Cytochrome P450 family protein 0.0015 0.0113 0.0141
Plasmodium vivax metacaspase 1, putative 0.0031 0.0588 1
Echinococcus granulosus GPCR family 2 0.0016 0.0158 0.0747
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.1168 0.2035
Trypanosoma brucei metacaspase MCA3 0.0031 0.0588 0.3691
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0193 0.5237 0.544
Echinococcus multilocularis musashi 0.0032 0.0603 0.3449
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0344 0.9583 1
Brugia malayi cytochrome P450 0.0015 0.0113 0.0141
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.0538 0.3058
Echinococcus multilocularis global transcription activator snf2l2 0.0069 0.1682 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0015 0.0113 0.0142
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0158 0.0752
Leishmania major metacaspase, putative 0.0031 0.0588 0.3691
Entamoeba histolytica hypothetical protein 0.0037 0.0757 0.0545
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0158 0.0747
Schistosoma mansoni hypothetical protein 0.0016 0.0158 0.0747
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0015 0.013 0.0582
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0158 0.0752
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0224 0.3813
Loa Loa (eye worm) cytochrome P450 family protein 0.0015 0.0113 0.0142
Schistosoma mansoni helicase 0.0069 0.1682 1
Plasmodium vivax SET domain protein, putative 0.0029 0.0538 0.9151
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0031 0.0588 0.0562
Onchocerca volvulus 0.0193 0.5237 0.7985
Onchocerca volvulus 0.0032 0.0603 0.0109
Echinococcus granulosus caspase 8 0.0031 0.0588 0.3361
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0996 0.1727
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0538 0.3058
Echinococcus multilocularis caspase 0.0031 0.0588 0.3361
Echinococcus granulosus lamin dm0 0.0032 0.0603 0.3449
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0996 0.5839
Brugia malayi Pre-SET motif family protein 0.0206 0.5606 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0344 0.9583 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0588 0.0994
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0016 0.0158 0.0752
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0016 0.0158 0.0752
Trypanosoma cruzi hypothetical protein, conserved 0.0059 0.14 1
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0193 0.5237 0.544
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0538 0.3058
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0224 0.018
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0032 0.0603 0.102
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0193 0.5237 0.544
Schistosoma mansoni hypothetical protein 0.0035 0.07 0.4043
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.07 0.1195
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0059 0.14 0.1413
Loa Loa (eye worm) hypothetical protein 0.0029 0.0538 0.0904
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0193 0.5237 0.544
Brugia malayi hypothetical protein 0.0037 0.0757 0.1296
Echinococcus granulosus caspase 3 apoptosis cysteine peptidase 0.0031 0.0588 0.3361
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0224 0.018
Entamoeba histolytica hypothetical protein 0.0037 0.0757 0.0545
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0538 0.3058
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0193 0.5237 0.544
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0015 0.013 0.0582
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0158 0.0349
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0757 0.4385
Schistosoma mansoni hypothetical protein 0.0015 0.0113 0.0479
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0538 0.3058
Echinococcus multilocularis caspase 2 0.0031 0.0588 0.3361
Brugia malayi Intermediate filament tail domain containing protein 0.0032 0.0603 0.1019
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0158 0.0349
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0224 0.0863
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0224 0.0863
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0206 0.5606 1
Brugia malayi Cytochrome P450 family protein 0.0015 0.0113 0.0141
Loa Loa (eye worm) hypothetical protein 0.0031 0.0588 0.0994
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0016 0.0158 0.0349
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0158 0.0752
Schistosoma mansoni ap endonuclease 0.0019 0.0224 0.1152
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0344 0.9583 1
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0059 0.14 0.1413
Onchocerca volvulus 0.0032 0.0603 0.0109
Toxoplasma gondii cytochrome p450 superfamily protein 0.0015 0.0113 0.1927
Trypanosoma cruzi metacaspase, putative 0.0031 0.0588 0.3691
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0193 0.5237 0.544
Echinococcus granulosus global transcription activator snf2l2 0.0069 0.1682 1
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.0193 0.5237 0.5128
Trichomonas vaginalis conserved hypothetical protein 0.0031 0.0588 0.0562
Loa Loa (eye worm) CYP4Cod1 0.0015 0.0113 0.0142
Plasmodium falciparum metacaspase 1 0.0031 0.0588 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0996 0.5839
Brugia malayi isocitrate dehydrogenase 0.0016 0.0158 0.0222
Trichomonas vaginalis conserved hypothetical protein 0.0031 0.0588 0.0562
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0193 0.5237 0.5128
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0179 0.0259
Trypanosoma brucei metacaspase 5, putative 0.0031 0.0588 0.3691
Schistosoma mansoni hypothetical protein 0.0016 0.0158 0.0747
Schistosoma mansoni hypothetical protein 0.0037 0.0757 0.4385
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0158 0.0747
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.0158 0.2691
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0031 0.0588 0.0562
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0031 0.0588 0.0562
Brugia malayi Low molecular weight phosphotyrosine protein phosphatase containing protein 0.0193 0.5237 0.9339
Trichomonas vaginalis conserved hypothetical protein 0.0031 0.0588 0.0562
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0193 0.5237 0.5128
Plasmodium falciparum metacaspase-like protein 0.0031 0.0588 1
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.0133 0.3527 0.7742
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0031 0.0588 0.0562
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0507 0.2869
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0016 0.0158 0.0752
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0996 0.5839
Brugia malayi Pre-SET motif family protein 0.0029 0.0538 0.0904
Echinococcus granulosus cytochrome P450 2K1 0.0015 0.0113 0.0479
Brugia malayi mucosa associated lymphoid tissue lymphoma translocation protein 1 0.0031 0.0588 0.0993
Trypanosoma cruzi metacaspase, putative 0.0031 0.0588 0.3691
Brugia malayi Cell death protein 3 precursor 0.0031 0.0588 0.0993
Schistosoma mansoni lamin 0.0032 0.0603 0.3449
Trypanosoma cruzi metacaspase 5, putative 0.0031 0.0588 0.3691
Echinococcus granulosus caspase 0.0031 0.0588 0.3361
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0016 0.0158 0.2691
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0031 0.0588 1
Echinococcus multilocularis isocitrate dehydrogenase 0.0016 0.0158 0.0752
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0344 0.9583 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.1168 0.2035
Giardia lamblia DNA repair protein RAD52 0.0358 1 1
Schistosoma mansoni cytochrome P450 0.0015 0.0113 0.0479
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.0224 0.0252
Loa Loa (eye worm) cytochrome P450 family protein 0.0015 0.0113 0.0142
Loa Loa (eye worm) hypothetical protein 0.0015 0.0114 0.0142
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0344 0.9583 0.9574
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.1168 0.2035
Loa Loa (eye worm) cytochrome P450 0.0015 0.0113 0.0142
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0344 0.9583 1

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, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 4.6535 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) = 39.8107 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
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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