Detailed information for compound 1423078

Basic information

Technical information
  • TDR Targets ID: 1423078
  • Name: 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-9 -methyl-2-(2-methylpropyl)pyrido[3,4-b]indol- 1-one
  • MW: 476.998 | Formula: C27H29ClN4O2
  • H donors: 0 H acceptors: 2 LogP: 4.66 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1cccc(c1)N1CCN(CC1)C(=O)c1cn(CC(C)C)c(=O)c2c1c1ccccc1n2C
  • InChi: 1S/C27H29ClN4O2/c1-18(2)16-32-17-22(24-21-9-4-5-10-23(21)29(3)25(24)27(32)34)26(33)31-13-11-30(12-14-31)20-8-6-7-19(28)15-20/h4-10,15,17-18H,11-14,16H2,1-3H3
  • InChiKey: NNYHMIKCKKTUGB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-isobutyl-9-methyl-pyrido[3,4-b]indol-1-one
  • 4-[[4-(3-chlorophenyl)-1-piperazinyl]-oxomethyl]-2-isobutyl-9-methyl-1-pyrido[3,4-b]indolone
  • 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-isobutyl-9-methyl-$b-carbolin-1-one
  • 4-[4-(3-chlorophenyl)piperazin-1-yl]carbonyl-9-methyl-2-(2-methylpropyl)pyrido[3,4-b]indol-1-one
  • NCGC00105997-01
  • UNM000000811801
  • EU-0090637
  • C237-0748

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis snurportin 1 0.0307 0.4916 1
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0468 0.5273
Brugia malayi MH2 domain containing protein 0.0242 0.3849 0.3849
Echinococcus granulosus mothers against decapentaplegic 5 0.0017 0.015 0.0304
Echinococcus granulosus importin subunit beta 1 0.0029 0.0351 0.0714
Brugia malayi Smad1 0.0017 0.015 0.015
Echinococcus multilocularis segment polarity protein dishevelled 0.0009 0.0022 0.0045
Schistosoma mansoni hypothetical protein 0.0058 0.0833 0.1226
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0009 0.0022 0.0022
Loa Loa (eye worm) hypothetical protein 0.0009 0.0022 0.0022
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0021 0.0226 0.046
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0468 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0468 0.0468
Onchocerca volvulus 0.0036 0.0468 0.168
Schistosoma mansoni hypothetical protein 0.0195 0.3081 0.4533
Brugia malayi Isocitrate dehydrogenase 0.0049 0.0685 0.0685
Brugia malayi beta-lactamase family protein 0.0036 0.0468 0.0468
Brugia malayi isocitrate dehydrogenase 0.0049 0.0685 0.0685
Echinococcus granulosus GPCR family 2 0.0195 0.3081 0.6269
Brugia malayi latrophilin 2 splice variant baaae 0.0422 0.6798 0.6798
Loa Loa (eye worm) latrophilin receptor protein 2 0.0195 0.3081 0.3081
Schistosoma mansoni hypothetical protein 0.0307 0.4916 0.7231
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0468 0.0952
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0195 0.3081 0.6269
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0021 0.0226 0.0226
Echinococcus multilocularis importin subunit beta 1 0.0029 0.0351 0.0714
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0468 1
Plasmodium vivax hypothetical protein, conserved 0.0036 0.0468 0.5273
Brugia malayi Latrophilin receptor protein 2 0.0195 0.3081 0.3081
Echinococcus granulosus Smad4 0.0017 0.015 0.0304
Loa Loa (eye worm) hypothetical protein 0.0036 0.0468 0.0468
Brugia malayi beta-lactamase family protein 0.0036 0.0468 0.0468
Onchocerca volvulus 0.0058 0.0833 0.299
Schistosoma mansoni regulator of G protein signaling 0.0009 0.0022 0.0033
Schistosoma mansoni dishevelled 0.0009 0.0022 0.0033
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0049 0.0685 1
Echinococcus multilocularis Pleckstrin G protein, interacting region 0.0009 0.0022 0.0045
Loa Loa (eye worm) hypothetical protein 0.0029 0.0351 0.0351
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0468 0.0468
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0021 0.0226 0.3079
Echinococcus granulosus GTP binding nuclear protein Ran 0.0021 0.0226 0.046
Mycobacterium leprae conserved hypothetical protein 0.0036 0.0468 0.5
Loa Loa (eye worm) hypothetical protein 0.0036 0.0468 0.0468
Schistosoma mansoni smad1 5 8 and 0.0017 0.015 0.022
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0363 0.299
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0049 0.0685 0.1394
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0013 0.0096 0.0196
Mycobacterium ulcerans beta-lactamase 0.0036 0.0468 0.5
Loa Loa (eye worm) isocitrate dehydrogenase 0.0049 0.0685 0.0685
Brugia malayi hypothetical protein 0.0019 0.0192 0.0192
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0177 0.2787 1
Schistosoma mansoni dishevelled 0.0009 0.0022 0.0033
Schistosoma mansoni ran 0.0021 0.0226 0.0333
Echinococcus multilocularis regulator of G protein signaling 7 0.0009 0.0022 0.0045
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0009 0.0022 0.0022
Schistosoma mansoni tar DNA-binding protein 0.0262 0.4169 0.6133
Onchocerca volvulus 0.0036 0.0468 0.168
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0262 0.1461
Schistosoma mansoni smad 0.0017 0.015 0.022
Brugia malayi TAR-binding protein 0.0262 0.4169 0.4169
Trichomonas vaginalis esterase, putative 0.0036 0.0468 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0468 1
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0049 0.0685 1
Echinococcus granulosus snurportin 1 0.0307 0.4916 1
Echinococcus granulosus tar DNA binding protein 0.0262 0.4169 0.8481
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0049 0.0685 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0618 1 1
Echinococcus multilocularis mothers against decapentaplegic 5 0.0017 0.015 0.0304
Brugia malayi RNA, U transporter 1 0.0082 0.1221 0.1221
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0468 0.0468
Loa Loa (eye worm) Smad1 0.0017 0.015 0.015
Loa Loa (eye worm) hypothetical protein 0.003 0.0363 0.0363
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.0468 0.5
Schistosoma mansoni tar DNA-binding protein 0.0262 0.4169 0.6133
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0468 0.0952
Leishmania major importin beta-1 subunit, putative 0.0023 0.0262 0.077
Loa Loa (eye worm) hypothetical protein 0.0286 0.4558 0.4558
Schistosoma mansoni z-protein (S1r protein) 0.0009 0.0022 0.0033
Brugia malayi MH2 domain containing protein 0.0017 0.015 0.015
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0049 0.0685 1
Loa Loa (eye worm) hypothetical protein 0.0195 0.3081 0.3081
Toxoplasma gondii isocitrate dehydrogenase 0.0049 0.0685 1
Brugia malayi MH1 domain containing protein 0.0009 0.0029 0.0029
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0307 0.4916 0.4916
Loa Loa (eye worm) hypothetical protein 0.0036 0.0468 0.0468
Brugia malayi MH2 domain containing protein 0.0017 0.015 0.015
Schistosoma mansoni tar DNA-binding protein 0.0262 0.4169 0.6133
Brugia malayi RNA recognition motif domain containing protein 0.0262 0.4169 0.4169
Schistosoma mansoni survival motor neuron protein 0.0058 0.0833 0.1226
Schistosoma mansoni Smad4 0.0017 0.015 0.022
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0363 0.299
Loa Loa (eye worm) hypothetical protein 0.0177 0.2787 0.2787
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0468 0.5273
Echinococcus granulosus segment polarity protein dishevelled 0.0009 0.0022 0.0045
Echinococcus multilocularis smad 0.0017 0.015 0.0304
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0363 0.299
Schistosoma mansoni hypothetical protein 0.0013 0.0096 0.0142
Trichomonas vaginalis importin beta-1, putative 0.0023 0.0262 0.1461
Entamoeba histolytica hypothetical protein 0.0023 0.0262 1
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.0262 0.077
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0049 0.0685 0.1394
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0049 0.0685 1
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0049 0.0685 1
Mycobacterium ulcerans hypothetical protein 0.0036 0.0468 0.5
Echinococcus multilocularis isocitrate dehydrogenase 0.0049 0.0685 0.1394
Brugia malayi regulator of G-protein signaling egl-10 0.0009 0.0022 0.0022
Mycobacterium leprae Probable lipase LipE 0.0036 0.0468 0.5
Brugia malayi MH1 domain containing protein 0.0009 0.0029 0.0029
Brugia malayi RNA binding protein 0.0262 0.4169 0.4169
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0363 0.299
Brugia malayi hypothetical protein 0.0009 0.0022 0.0022
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0195 0.3081 0.3081
Onchocerca volvulus Segment polarity protein dishevelled homolog 0.0009 0.0022 0.008
Brugia malayi N-terminal motif family protein 0.0177 0.2787 0.2787
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.0468 0.5273
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0262 0.1461
Brugia malayi hypothetical protein 0.003 0.0363 0.0363
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0021 0.0226 0.5
Leishmania major hypothetical protein, conserved 0.003 0.0363 0.299
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0363 0.299
Echinococcus multilocularis regulator of G protein signaling 7 0.0009 0.0022 0.0045
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0618 1 1
Brugia malayi Importin beta-1 subunit 0.0029 0.0351 0.0351
Schistosoma mansoni tar DNA-binding protein 0.0262 0.4169 0.6133
Schistosoma mansoni hypothetical protein 0.0195 0.3081 0.4533
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0468 0.0689
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0363 0.5148
Brugia malayi DIX domain containing protein 0.0009 0.0022 0.0022
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0195 0.3081 0.6269
Plasmodium vivax importin-beta 2, putative 0.0029 0.0351 0.2716
Mycobacterium tuberculosis Possible penicillin-binding protein 0.023 0.3643 1
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0017 0.015 0.022
Loa Loa (eye worm) RNA binding protein 0.0262 0.4169 0.4169
Loa Loa (eye worm) hypothetical protein 0.0009 0.0029 0.0029
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0468 0.0689
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.0468 0.5
Toxoplasma gondii ABC1 family protein 0.0036 0.0468 0.6729
Loa Loa (eye worm) MH1 domain-containing protein 0.0017 0.015 0.015
Echinococcus granulosus Pleckstrin G protein interacting region 0.0009 0.0022 0.0045
Loa Loa (eye worm) MH2 domain-containing protein 0.0017 0.015 0.015
Echinococcus multilocularis Smad4 0.0017 0.015 0.0304
Loa Loa (eye worm) hypothetical protein 0.0009 0.0022 0.0022
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0195 0.3081 0.6269
Brugia malayi MH1 domain containing protein 0.0017 0.015 0.015
Echinococcus multilocularis tar DNA binding protein 0.0262 0.4169 0.8481
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0262 0.4169 0.4169
Echinococcus granulosus segment polarity protein dishevelled 0.0009 0.0022 0.0045
Echinococcus granulosus regulator of G protein signaling 7 0.0009 0.0022 0.0045
Loa Loa (eye worm) beta-lactamase 0.0036 0.0468 0.0468
Schistosoma mansoni smad1 5 8 and 0.0017 0.015 0.022
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0468 1
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.4558 0.9272
Loa Loa (eye worm) transcription factor SMAD2 0.0242 0.3849 0.3849
Brugia malayi hypothetical protein 0.0286 0.4558 0.4558
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0017 0.015 0.0304
Loa Loa (eye worm) DIX domain-containing protein 0.0009 0.0022 0.0022
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0021 0.0226 0.0226
Loa Loa (eye worm) hypothetical protein 0.0009 0.0022 0.0022
Loa Loa (eye worm) hypothetical protein 0.0036 0.0468 0.0468
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0049 0.0685 0.1394
Loa Loa (eye worm) hypothetical protein 0.0422 0.6798 0.6798
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0009 0.0022 0.0022
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0049 0.0685 0.1008
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.0833 0.0833
Echinococcus granulosus regulator of G protein signaling 7 0.0009 0.0022 0.0045
Schistosoma mansoni hypothetical protein 0.0195 0.3081 0.4533
Onchocerca volvulus 0.0009 0.0022 0.008
Schistosoma mansoni smad1 5 8 and 0.0017 0.015 0.022
Echinococcus granulosus TGF beta signal transducer SmadC 0.0017 0.015 0.0304
Schistosoma mansoni fyve finger-containing phosphoinositide kinase fyv1 0.0009 0.0022 0.0033
Schistosoma mansoni tar DNA-binding protein 0.0262 0.4169 0.6133
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0049 0.0685 1
Brugia malayi beta-lactamase 0.0036 0.0468 0.0468
Onchocerca volvulus 0.0036 0.0468 0.168
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0013 0.0096 0.0196
Echinococcus granulosus smad 0.0017 0.015 0.0304
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0049 0.0685 0.1394
Brugia malayi hypothetical protein 0.0009 0.0022 0.0022
Toxoplasma gondii HEAT repeat-containing protein 0.0029 0.0351 0.4959
Loa Loa (eye worm) hypothetical protein 0.0618 1 1
Echinococcus multilocularis segment polarity protein dishevelled 0.0009 0.0022 0.0045
Toxoplasma gondii isocitrate dehydrogenase 0.0049 0.0685 1
Brugia malayi MH1 domain containing protein 0.0017 0.015 0.015
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.4558 0.9272
Echinococcus multilocularis GPCR, family 2 0.0195 0.3081 0.6269
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0351 0.2716
Schistosoma mansoni dep domain containing protein 0.0009 0.0022 0.0033
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0195 0.3081 0.6269
Loa Loa (eye worm) TAR-binding protein 0.0262 0.4169 0.4169
Schistosoma mansoni hypothetical protein 0.0422 0.6798 1
Schistosoma mansoni hypothetical protein 0.0195 0.3081 0.4533
Loa Loa (eye worm) nuclear factor I 0.0009 0.0029 0.0029
Leishmania major hypothetical protein, conserved 0.0036 0.0468 0.5273
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0468 1
Schistosoma mansoni importin beta-1 0.0029 0.0351 0.0516
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0049 0.0685 0.1394
Mycobacterium ulcerans lipase LipD 0.0036 0.0468 0.5
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0049 0.0685 0.0683
Loa Loa (eye worm) hypothetical protein 0.0036 0.0468 0.0468
Loa Loa (eye worm) MH2 domain-containing protein 0.0242 0.3849 0.3849
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0363 0.299
Schistosoma mansoni ran 0.0021 0.0226 0.0333
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0351 0.2716
Plasmodium falciparum importin beta, putative 0.0029 0.0351 0.2716

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.1623 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) = 7.9433 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 20.5962 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 31.6228 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) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) = 39.8107 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) 39.8107 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference

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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