Detailed information for compound 1317860

Basic information

Technical information
  • TDR Targets ID: 1317860
  • Name: 4-(azepan-1-yl)-N-(2-methyl-4-nitrophenyl)-4- oxobutanamide
  • MW: 333.382 | Formula: C17H23N3O4
  • H donors: 1 H acceptors: 4 LogP: 1.86 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccc(cc1C)[N+](=O)[O-])CCC(=O)N1CCCCCC1
  • InChi: 1S/C17H23N3O4/c1-13-12-14(20(23)24)6-7-15(13)18-16(21)8-9-17(22)19-10-4-2-3-5-11-19/h6-7,12H,2-5,8-11H2,1H3,(H,18,21)
  • InChiKey: XKTVIYUQNSHYBP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-(azepan-1-yl)-N-(2-methyl-4-nitro-phenyl)-4-oxo-butanamide
  • 4-(1-azepanyl)-N-(2-methyl-4-nitrophenyl)-4-oxobutanamide
  • 4-(azepan-1-yl)-4-keto-N-(2-methyl-4-nitro-phenyl)butyramide
  • ZINC06700833

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens adrenoceptor beta 2, surface Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
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
Brugia malayi Probable isocitrate dehydrogenase 0.0016 0.0027 0.0027
Loa Loa (eye worm) Smad1 0.0074 0.0316 0.0315
Brugia malayi MH1 domain containing protein 0.0041 0.0151 0.0151
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0144 0.0663 0.3237
Brugia malayi FYVE finger-containing phosphoinositide kinase, putative 0.0013 0.0011 0.0011
Trichomonas vaginalis CAMK family protein kinase 0.019 0.0892 1
Brugia malayi isocitrate dehydrogenase [NAD] subunit beta, mitochondrial 0.0016 0.0027 0.0027
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.019 0.0892 0.0891
Echinococcus multilocularis isocitrate dehydrogenase (NAD+) 0.0016 0.0027 0.008
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0248 0.1181 0.363
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0418 0.2024 0.6218
Echinococcus multilocularis mothers against decapentaplegic 6 0.0033 0.0112 0.0342
Entamoeba histolytica hypothetical protein 0.0036 0.0125 0.1294
Schistosoma mansoni tar DNA-binding protein 0.0665 0.3254 1
Schistosoma mansoni smad 0.0033 0.0112 0.031
Schistosoma mansoni Smad4 0.0033 0.0112 0.031
Loa Loa (eye worm) hypothetical protein 0.0131 0.0599 0.0598
Schistosoma mansoni hypothetical protein 0.0248 0.1181 0.3609
Schistosoma mansoni cpg binding protein 0.0037 0.013 0.0365
Brugia malayi RNA binding protein 0.0665 0.3254 0.3254
Brugia malayi serine/threonine-protein kinase plk-2 0.019 0.0892 0.0892
Loa Loa (eye worm) pip kinase 1 0.0013 0.0011 0.0011
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0131 0.0601 0.1845
Schistosoma mansoni hypothetical protein 0.0059 0.024 0.0704
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0418 0.2024 1
Entamoeba histolytica hypothetical protein 0.0036 0.0125 0.1294
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0131 0.0601 0.1845
Brugia malayi Pax transcription factor protein 2 0.0471 0.2289 0.2289
Entamoeba histolytica serine/threonine protein kinase, putative 0.019 0.0892 1
Onchocerca volvulus 0.0035 0.012 0.0008
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0418 0.2024 1
Loa Loa (eye worm) MH2 domain-containing protein 0.1087 0.5353 0.5353
Schistosoma mansoni tar DNA-binding protein 0.0665 0.3254 1
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0418 0.2024 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0248 0.1181 0.363
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0125 0.0351
Loa Loa (eye worm) hypothetical protein 0.0033 0.0112 0.0111
Brugia malayi isocitrate dehydrogenase 0.0131 0.0601 0.0601
Echinococcus multilocularis phosphatidylinositol 5 phosphate 4 kinase type 2 0.016 0.0745 0.2289
Loa Loa (eye worm) isocitrate dehydrogenase gamma subunit 0.0016 0.0027 0.0026
Plasmodium falciparum ataxin-2 like protein, putative 0.0131 0.0599 0.292
Brugia malayi MH1 domain containing protein 0.0041 0.0151 0.0151
Echinococcus granulosus phosphatidylinositol phosphate 5 kinase type III 0.0013 0.0011 0.0033
Echinococcus granulosus peptidase Clp S14 family 0.0274 0.1308 0.4019
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.0415 0.4583
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0074 0.0316 0.0938
Leishmania major isocitrate dehydrogenase, putative 0.0016 0.0027 0.0174
Brugia malayi MH2 domain containing protein 0.0074 0.0316 0.0316
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0248 0.1181 0.363
Loa Loa (eye worm) transcription factor SMAD2 0.1087 0.5353 0.5353
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0418 0.2024 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0131 0.0599 0.6674
Trichomonas vaginalis CAMK family protein kinase 0.019 0.0892 1
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0074 0.0316 0.0968
Brugia malayi Latrophilin receptor protein 2 0.0248 0.1181 0.1181
Brugia malayi hypothetical protein 0.0036 0.0125 0.0125
Loa Loa (eye worm) FYVE finger-containing phosphoinositide kinase 0.0013 0.0011 0.0011
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0418 0.2024 0.6218
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.012 0.0119
Echinococcus multilocularis tar DNA binding protein 0.0665 0.3254 1
Schistosoma mansoni unc-13 (munc13) 0.0016 0.0027 0.0047
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0131 0.0601 0.293
Schistosoma mansoni Isocitrate dehydrogenase [NAD] subunit gamma mitochondrial 0.0016 0.0027 0.0047
Schistosoma mansoni cpg binding protein 0.0035 0.012 0.0334
Brugia malayi MH1 domain containing protein 0.0074 0.0316 0.0316
Loa Loa (eye worm) hypothetical protein 0.0248 0.1181 0.1181
Echinococcus granulosus Smad4 0.0074 0.0316 0.0968
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.019 0.0892 0.2739
Onchocerca volvulus Serine\/threonine kinase homolog 0.019 0.0892 0.0789
Echinococcus multilocularis cpg binding protein 0.0037 0.013 0.0396
Onchocerca volvulus 0.2022 1 1
Echinococcus multilocularis phosphatidylinositol phosphate 5 kinase type III 0.0013 0.0011 0.0033
Brugia malayi CXXC zinc finger family protein 0.0035 0.012 0.012
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0131 0.0601 0.4481
Echinococcus granulosus mothers against decapentaplegic 2 0.0033 0.0112 0.0342
Brugia malayi MH1 domain containing protein 0.0074 0.0316 0.0316
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0131 0.0601 0.6698
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0784 0.3848 0.3848
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0248 0.1181 0.363
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0418 0.2024 1
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0059 0.024 0.0734
Loa Loa (eye worm) MH2 domain-containing protein 0.0074 0.0316 0.0315
Echinococcus granulosus tar DNA binding protein 0.0665 0.3254 1
Giardia lamblia Kinase, PLK 0.019 0.0892 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0784 0.3848 0.3847
Schistosoma mansoni smad1 5 8 and 0.0074 0.0316 0.0938
Trichomonas vaginalis CAMK family protein kinase 0.019 0.0892 1
Echinococcus granulosus isocitrate dehydrogenase NAD 0.0016 0.0027 0.008
Brugia malayi RNA recognition motif domain containing protein 0.0665 0.3254 0.3254
Loa Loa (eye worm) nuclear factor I 0.0041 0.0151 0.015
Brugia malayi isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial 0.0016 0.0027 0.0027
Loa Loa (eye worm) hypothetical protein 0.0041 0.0151 0.015
Echinococcus multilocularis mothers against decapentaplegic 5 0.0074 0.0316 0.0968
Loa Loa (eye worm) pip kinase 2 0.016 0.0745 0.0745
Loa Loa (eye worm) hypothetical protein 0.0536 0.2614 0.2613
Brugia malayi N-terminal motif family protein 0.0178 0.0834 0.0834
Schistosoma mansoni tar DNA-binding protein 0.0665 0.3254 1
Loa Loa (eye worm) MH1 domain-containing protein 0.0074 0.0316 0.0315
Plasmodium falciparum ataxin-2 like protein, putative 0.0131 0.0599 0.292
Trichomonas vaginalis CAMK family protein kinase 0.019 0.0892 1
Schistosoma mansoni isocitrate dehydrogenase 0.0016 0.0027 0.0047
Loa Loa (eye worm) hypothetical protein 0.0178 0.0834 0.0833
Brugia malayi TAR-binding protein 0.0665 0.3254 0.3254
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0274 0.1308 1
Schistosoma mansoni phosphatidylinositol-4-phosphate 5-kinase type II 0.016 0.0745 0.2263
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0418 0.2024 0.5
Echinococcus multilocularis GPCR, family 2 0.0248 0.1181 0.363
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0131 0.0601 0.6698
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0125 0.0383
Plasmodium vivax ataxin-2 like protein, putative 0.0131 0.0599 0.292
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0131 0.0601 0.6698
Echinococcus granulosus cpg binding protein 0.0037 0.013 0.0396
Schistosoma mansoni hypothetical protein 0.0536 0.2614 0.8025
Brugia malayi MH2 domain containing protein 0.1087 0.5353 0.5353
Brugia malayi Isocitrate dehydrogenase subunit gamma, mitochondrial precursor 0.0016 0.0027 0.0027
Brugia malayi latrophilin 2 splice variant baaae 0.0536 0.2614 0.2614
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0131 0.0601 0.6698
Loa Loa (eye worm) TAR-binding protein 0.0665 0.3254 0.3254
Schistosoma mansoni tar DNA-binding protein 0.0665 0.3254 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0248 0.1181 0.1181
Toxoplasma gondii LsmAD domain-containing protein 0.0131 0.0599 0.292
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0274 0.1308 0.6418
Toxoplasma gondii isocitrate dehydrogenase 0.0131 0.0601 0.293
Echinococcus granulosus isocitrate dehydrogenase NAD subunit 0.0016 0.0027 0.008
Brugia malayi mothers against decapentaplegic homolog 3 0.0033 0.0112 0.0112
Trypanosoma brucei polo-like protein kinase 0.019 0.0892 1
Echinococcus multilocularis isocitrate dehydrogenase (NAD) subunit 0.0016 0.0027 0.008
Onchocerca volvulus 0.0471 0.2289 0.2202
Brugia malayi Calcitonin receptor-like protein seb-1 0.0784 0.3848 0.3848
Brugia malayi Pip kinase protein 2 0.016 0.0745 0.0745
Trypanosoma cruzi polo-like protein kinase, putative 0.019 0.0892 1
Echinococcus multilocularis smad 0.0074 0.0316 0.0968
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0418 0.2024 1
Schistosoma mansoni phosphatidylinositol-4-phosphate 5-kinase type II 0.016 0.0745 0.2263
Toxoplasma gondii isocitrate dehydrogenase 0.0131 0.0601 0.293
Echinococcus granulosus mothers against decapentaplegic 5 0.0074 0.0316 0.0968
Loa Loa (eye worm) MH1 domain-containing protein 0.0033 0.0112 0.0111
Echinococcus granulosus mothers against decapentaplegic 6 0.0033 0.0112 0.0342
Schistosoma mansoni hypothetical protein 0.0036 0.0125 0.0351
Schistosoma mansoni Smad4 0.0074 0.0316 0.0938
Echinococcus multilocularis mothers against decapentaplegic 2 0.0033 0.0112 0.0342
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0125 0.0383
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0059 0.024 0.0734
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0131 0.0601 0.1845
Brugia malayi hypothetical protein 0.0131 0.0599 0.0599
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0131 0.0601 0.293
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0274 0.1308 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0033 0.0112 0.0111
Echinococcus granulosus phosphatidylinositol 5 phosphate 4 kinase type 2 0.016 0.0745 0.2289
Loa Loa (eye worm) hypothetical protein 0.016 0.0745 0.0745
Schistosoma mansoni smad1 5 8 and 0.0074 0.0316 0.0938
Leishmania major hypothetical protein, conserved 0.0131 0.0599 0.6674
Trypanosoma brucei PAB1-binding protein , putative 0.0131 0.0599 0.6674
Toxoplasma gondii hypothetical protein 0.0144 0.0663 0.3237
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0131 0.0601 0.1845
Brugia malayi Probable ClpP-like protease 0.0418 0.2024 0.2024
Brugia malayi Smad1 0.0074 0.0316 0.0316
Loa Loa (eye worm) pax transcription factor protein 2 0.0471 0.2289 0.2289
Trichomonas vaginalis CAMK family protein kinase 0.019 0.0892 1
Loa Loa (eye worm) RNA binding protein 0.0665 0.3254 0.3254
Loa Loa (eye worm) hypothetical protein 0.2022 1 1
Brugia malayi Pip kinase protein 1 0.0013 0.0011 0.0011
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0418 0.2024 1
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.0415 0.4583
Schistosoma mansoni smad 0.0074 0.0316 0.0938
Trichomonas vaginalis isocitrate dehydrogenase, putative 0.0016 0.0027 0.0174
Echinococcus multilocularis isocitrate dehydrogenase 0.0131 0.0601 0.1845
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0418 0.2024 1
Entamoeba histolytica hypothetical protein 0.0036 0.0125 0.1294
Loa Loa (eye worm) hypothetical protein 0.0418 0.2024 0.2023
Trichomonas vaginalis CAMK family protein kinase 0.019 0.0892 1
Schistosoma mansoni smad1 5 8 and 0.0074 0.0316 0.0938
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0418 0.2024 0.5
Schistosoma mansoni cpg binding protein 0.0037 0.013 0.0365
Echinococcus granulosus Phosphatidylinositol 4 phosphate 5 kinase type 1 0.0013 0.0011 0.0033
Brugia malayi Probable isocitrate dehydrogenase 0.0016 0.0027 0.0027
Entamoeba histolytica tartrate dehydrogenase, putative 0.0016 0.0027 0.0174
Trypanosoma cruzi polo-like protein kinase, putative 0.019 0.0892 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0665 0.3254 0.3254
Trichomonas vaginalis CAMK family protein kinase 0.019 0.0892 1
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.019 0.0892 1
Schistosoma mansoni hypothetical protein 0.0248 0.1181 0.3609
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0131 0.0601 0.6698
Trypanosoma cruzi PAB1-binding protein , putative 0.0131 0.0599 0.6674
Brugia malayi hypothetical protein 0.0085 0.0368 0.0368
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0131 0.0601 0.1845
Schistosoma mansoni hypothetical protein 0.0248 0.1181 0.3609
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0144 0.0663 0.3237
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0178 0.0834 0.073
Schistosoma mansoni serine/threonine protein kinase 0.019 0.0892 0.2715
Echinococcus granulosus GPCR family 2 0.0248 0.1181 0.363
Schistosoma mansoni peptidase Clp (S14 family) 0.0418 0.2024 0.6206
Onchocerca volvulus 0.016 0.0745 0.064
Loa Loa (eye worm) FYVE zinc finger family protein 0.0013 0.0011 0.0011
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 0.0144 0.0663 0.3185
Schistosoma mansoni hypothetical protein 0.0248 0.1181 0.3609
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0131 0.0601 0.1818
Echinococcus multilocularis Phosphatidylinositol 4 phosphate 5 kinase type 1 0.0013 0.0011 0.0033
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0248 0.1181 0.1181
Brugia malayi MH2 domain containing protein 0.0074 0.0316 0.0316
Loa Loa (eye worm) hypothetical protein 0.0016 0.0027 0.0026
Entamoeba histolytica hypothetical protein 0.0036 0.0125 0.1294
Schistosoma mansoni tar DNA-binding protein 0.0665 0.3254 1
Brugia malayi Isocitrate dehydrogenase 0.0131 0.0601 0.0601
Echinococcus multilocularis Smad4 0.0074 0.0316 0.0968
Loa Loa (eye worm) isocitrate dehydrogenase 0.0131 0.0601 0.06
Echinococcus granulosus smad 0.0074 0.0316 0.0968
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0418 0.2024 1
Loa Loa (eye worm) hypothetical protein 0.0784 0.3848 0.3847
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.0274 0.1305
Brugia malayi MH2 domain containing protein 0.0033 0.0112 0.0112
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.0313 0.093
Echinococcus multilocularis peptidase Clp (S14 family) 0.0274 0.1308 0.4019
Echinococcus granulosus serine:threonine protein kinase PLK1 0.019 0.0892 0.2739
Schistosoma mansoni kinase 0.0097 0.0427 0.1283
Schistosoma mansoni Smad4 0.0033 0.0112 0.031
Echinococcus granulosus TGF beta signal transducer SmadC 0.0074 0.0316 0.0968

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 8.9125 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference
Potency (functional) 14.1254 uM PUBCHEM_BIOASSAY: qHTS assay of beta-arrestin-biased ligands of beta2-adrenergic receptor. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID485366, AID485386, AID504448, AID504454, AID504459] ChEMBL. No reference
Potency (functional) 23.0999 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 (binding) 28.1838 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 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 (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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