Detailed information for compound 699667

Basic information

Technical information
  • TDR Targets ID: 699667
  • Name: 4-acetyl-N-[1-(2,3-dihydro-1,4-benzodioxin-7- yl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
  • MW: 416.448 | Formula: C20H20N2O6S
  • H donors: 1 H acceptors: 4 LogP: 1.12 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)c1ccc(cc1)S(=O)(=O)NC1CN(C(=O)C1)c1ccc2c(c1)OCCO2
  • InChi: 1S/C20H20N2O6S/c1-13(23)14-2-5-17(6-3-14)29(25,26)21-15-10-20(24)22(12-15)16-4-7-18-19(11-16)28-9-8-27-18/h2-7,11,15,21H,8-10,12H2,1H3
  • InChiKey: CZAFKUQYZXRCCZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-acetyl-N-[1-(2,3-dihydro-1,4-benzodioxin-7-yl)-5-oxo-pyrrolidin-3-yl]benzenesulfonamide
  • 4-acetyl-N-[1-(2,3-dihydro-1,4-benzodioxin-7-yl)-5-oxo-3-pyrrolidinyl]benzenesulfonamide
  • 4-acetyl-N-[1-(2,3-dihydro-1,4-benzodioxin-7-yl)-5-keto-pyrrolidin-3-yl]benzenesulfonamide
  • N-[1-(2,3-dihydro-1,4-benzodioxin-7-yl)-5-oxo-pyrrolidin-3-yl]-4-ethanoyl-benzenesulfonamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium ulcerans hypothetical protein 0.0024 0.0324 1
Loa Loa (eye worm) hypothetical protein 0.0058 0.1368 0.2915
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0324 0.0604
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0038 0.0754 0.0754
Echinococcus granulosus Protein patched homolog 1 0.0048 0.1044 0.1044
Loa Loa (eye worm) hypothetical protein 0.0021 0.0239 0.0509
Echinococcus granulosus lamin dm0 0.0027 0.0423 0.0423
Loa Loa (eye worm) hypothetical protein 0.0021 0.0239 0.0509
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0051 0.1151 1
Brugia malayi Latrophilin receptor protein 2 0.0018 0.0142 0.0213
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.1151 1
Echinococcus multilocularis musashi 0.0027 0.0423 0.0423
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0024 0.0324 1
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0048 0.1044 0.2225
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0021 0.0239 0.0121
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0051 0.1151 1
Onchocerca volvulus 0.0027 0.0423 0.2076
Schistosoma mansoni nuclear hormone receptor 0.0021 0.0239 0.0121
Loa Loa (eye worm) hypothetical protein 0.0111 0.2958 0.6304
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0324 0.0604
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0021 0.0239 0.0509
Schistosoma mansoni terminal deoxycytidyl transferase 0.002 0.0217 0.0094
Trypanosoma brucei unspecified product 0.002 0.0217 0.1691
Echinococcus multilocularis ecdysone induced protein 78C 0.0021 0.0239 0.0239
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0.0324 1
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.1151 1
Brugia malayi Muscleblind-like protein 0.0168 0.4692 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0021 0.0239 0.042
Plasmodium vivax acyl-CoA synthetase, putative 0.0018 0.0143 0.5
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0021 0.0239 0.0239
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0217 0.1691
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0021 0.0239 0.0239
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0021 0.0239 0.0121
Echinococcus granulosus geminin 0.0205 0.5788 0.5788
Loa Loa (eye worm) hypothetical protein 0.0038 0.0766 0.1632
Entamoeba histolytica hypothetical protein 0.0038 0.0754 0.1958
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.0239 0.0239
Echinococcus multilocularis thyroid hormone receptor alpha 0.0282 0.8131 0.8131
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0111 0.2958 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0021 0.0239 0.0509
Entamoeba histolytica hypothetical protein 0.0038 0.0754 0.1958
Loa Loa (eye worm) hypothetical protein 0.0056 0.1303 0.2777
Echinococcus granulosus ecdysone induced protein 78C 0.0021 0.0239 0.0239
Schistosoma mansoni transcription factor LCR-F1 0.0038 0.0754 0.0765
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0021 0.0239 0.042
Echinococcus granulosus mitogen activated protein kinase 0.0051 0.1151 0.1151
Brugia malayi CHE-14 protein 0.0048 0.1044 0.2152
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0018 0.0142 0.0142
Onchocerca volvulus 0.005 0.1127 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.0239 0.0239
Giardia lamblia Kinase, CMGC MAPK 0.0051 0.1151 1
Echinococcus multilocularis FTZ F1 alpha 0.0021 0.0239 0.0239
Echinococcus multilocularis dna polymerase eta 0.002 0.0217 0.0217
Schistosoma mansoni hypothetical protein 0.0205 0.5788 0.7067
Loa Loa (eye worm) steroid hormone receptor 0.0021 0.0239 0.0509
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0324 0.1146
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0021 0.0239 0.042
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0051 0.1151 1
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0217 0.1691
Schistosoma mansoni hypothetical protein 0.0046 0.0992 0.1064
Brugia malayi Nuclear hormone receptor-like 1 0.0021 0.0239 0.042
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0051 0.1151 1
Schistosoma mansoni RAR-like nuclear receptor 0.0021 0.0239 0.0121
Echinococcus multilocularis mitogen activated protein kinase 3 0.0051 0.1151 0.1151
Brugia malayi latrophilin 2 splice variant baaae 0.0038 0.0766 0.1554
Brugia malayi hypothetical protein 0.0038 0.0754 0.1528
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.0239 0.042
Loa Loa (eye worm) hypothetical protein 0.0021 0.0239 0.0509
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0018 0.0142 0.0142
Loa Loa (eye worm) hypothetical protein 0.0024 0.0324 0.0691
Echinococcus multilocularis Niemann Pick C1 protein 0.0159 0.4397 0.4397
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0021 0.0239 0.0239
Echinococcus granulosus mitogen activated protein kinase 3 0.0051 0.1151 0.1151
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0021 0.0239 0.042
Onchocerca volvulus 0.0024 0.0324 0.0963
Loa Loa (eye worm) hypothetical protein 0.0168 0.4692 1
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0217 0.1691
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0018 0.0142 0.0213
Echinococcus multilocularis mitogen activated protein kinase 0.0051 0.1151 0.1151
Echinococcus multilocularis lamin dm0 0.0027 0.0423 0.0423
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.1151 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0021 0.0239 0.0509
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0261 0.7497 0.7497
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0038 0.0754 0.0754
Schistosoma mansoni retinoic acid receptor RXR 0.0021 0.0239 0.0121
Echinococcus granulosus dna polymerase eta 0.002 0.0217 0.0217
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0324 1
Echinococcus multilocularis expressed conserved protein 0.0104 0.2755 0.2755
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0056 0.1303 0.2709
Echinococcus granulosus sterol regulatory element binding protein 0.0048 0.1044 0.1044
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0324 0.1146
Echinococcus granulosus expressed conserved protein 0.0104 0.2755 0.2755
Loa Loa (eye worm) hypothetical protein 0.0018 0.0143 0.0304
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0021 0.0239 0.0239
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0217 0.1691
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0261 0.7497 0.7497
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0217 0.0374
Echinococcus granulosus intermediate filament protein 0.0027 0.0423 0.0423
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0021 0.0239 0.0121
Entamoeba histolytica acyl-coA synthetase, putative 0.0024 0.0324 0.039
Loa Loa (eye worm) hypothetical protein 0.0021 0.0239 0.0509
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0324 0.1146
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0051 0.1151 1
Schistosoma mansoni intermediate filament proteins 0.0027 0.0423 0.0351
Loa Loa (eye worm) hypothetical protein 0.0021 0.0239 0.0509
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0217 0.1691
Mycobacterium ulcerans DNA polymerase IV 0.002 0.0217 0.4115
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0423 0.0902
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.002 0.0217 0.0217
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0021 0.0239 0.0239
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0324 1
Schistosoma mansoni serine/threonine protein kinase 0.0051 0.1151 0.1262
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0051 0.1151 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.0239 0.042
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.002 0.0217 0.4933
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.0324 0.5
Loa Loa (eye worm) hypothetical protein 0.0018 0.0142 0.0304
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0021 0.0239 0.042
Schistosoma mansoni hypothetical protein 0.0261 0.7497 0.9207
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0021 0.0239 0.042
Echinococcus multilocularis GPCR, family 2 0.0018 0.0142 0.0142
Loa Loa (eye worm) hypothetical protein 0.0018 0.0143 0.0304
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.0324 0.5
Trypanosoma brucei protein kinase, putative 0.0051 0.1151 1
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0024 0.0324 1
Echinococcus granulosus muscleblind protein 0.0168 0.4692 0.4692
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0051 0.1151 0.2452
Plasmodium falciparum acyl-CoA synthetase 0.0018 0.0143 0.5
Echinococcus multilocularis lamin 0.0027 0.0423 0.0423
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0018 0.0142 0.0142
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0021 0.0239 0.0239
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0021 0.0239 0.0121
Schistosoma mansoni hypothetical protein 0.0038 0.0754 0.0765
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.1151 1
Echinococcus multilocularis sterol regulatory element binding protein 0.0048 0.1044 0.1044
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.0043 0.0093
Echinococcus granulosus FTZ F1 alpha 0.0021 0.0239 0.0239
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0021 0.0239 0.0509
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0018 0.0142 0.0142
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0217 0.1691
Brugia malayi nuclear hormone receptor 0.0021 0.0239 0.042
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0056 0.1303 0.2777
Loa Loa (eye worm) hypothetical protein 0.0027 0.0408 0.087
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.0239 0.0239
Loa Loa (eye worm) latrophilin receptor protein 2 0.0018 0.0142 0.0304
Schistosoma mansoni DNA polymerase eta 0.002 0.0217 0.0094
Loa Loa (eye worm) hypothetical protein 0.0021 0.0239 0.0509
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.0239 0.042
Trichomonas vaginalis conserved hypothetical protein 0.0048 0.1044 0.8857
Entamoeba histolytica hypothetical protein 0.0038 0.0754 0.1958
Brugia malayi photoreceptor-specific nuclear receptor 0.0021 0.0239 0.042
Echinococcus granulosus Niemann Pick C1 protein 0.0159 0.4397 0.4397
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0021 0.0239 0.0239
Schistosoma mansoni hypothetical protein 0.0038 0.0766 0.078
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.0324 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0324 0.039
Entamoeba histolytica hypothetical protein 0.0038 0.0754 0.1958
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0021 0.0239 0.0239
Trypanosoma brucei DNA polymerase eta, putative 0.002 0.0217 0.1691
Schistosoma mansoni coup transcription factor 0.0021 0.0239 0.0121
Schistosoma mansoni hypothetical protein 0.0046 0.0992 0.1064
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0051 0.1151 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0423 0.0902
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0.0324 1
Schistosoma mansoni hypothetical protein 0.0046 0.0992 0.1064
Echinococcus multilocularis protein dispatched 1 0.0054 0.1247 0.1247
Loa Loa (eye worm) hypothetical protein 0.0168 0.4692 1
Schistosoma mansoni hypothetical protein 0.0046 0.0992 0.1064
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0217 0.0374
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.0239 0.042
Echinococcus granulosus dna polymerase kappa 0.002 0.0217 0.0217
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.002 0.0217 0.0217
Echinococcus multilocularis geminin 0.0205 0.5788 0.5788
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.002 0.0217 0.0463
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0217 0.1691
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0217 0.1691
Loa Loa (eye worm) hypothetical protein 0.0018 0.0143 0.0304
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.0239 0.042
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0021 0.0239 0.0121
Schistosoma mansoni cellular tumor antigen P53 0.005 0.1127 0.1232
Mycobacterium ulcerans DNA polymerase IV 0.002 0.0217 0.4115
Brugia malayi Calcitonin receptor-like protein seb-1 0.0056 0.1303 0.2709
Echinococcus granulosus Niemann Pick C1 protein 0.0111 0.2958 0.2958
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0021 0.0239 0.0239
Brugia malayi MAP kinase sur-1 0.0051 0.1151 0.2382
Schistosoma mansoni steroid hormone receptor ad4bp 0.0021 0.0239 0.0121
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0217 0.1691
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0217 0.1691
Echinococcus multilocularis muscleblind protein 0.0168 0.4692 0.4692
Loa Loa (eye worm) hypothetical protein 0.0024 0.0324 0.0691
Brugia malayi ecdysteroid receptor 0.0021 0.0239 0.042
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0423 0.0902
Brugia malayi Niemann-Pick C1 protein precursor 0.0111 0.2958 0.6269
Brugia malayi nuclear receptor NHR-88 0.0021 0.0239 0.042
Schistosoma mansoni patched 1 0.0048 0.1044 0.1129
Schistosoma mansoni thyroid hormone receptor 0.0282 0.8131 1
Echinococcus granulosus lamin 0.0027 0.0423 0.0423
Loa Loa (eye worm) hypothetical protein 0.0024 0.0324 0.0691
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0217 0.1691
Onchocerca volvulus 0.0027 0.0423 0.2076
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0021 0.0239 0.0121
Brugia malayi steroid hormone receptor 0.0021 0.0239 0.042
Echinococcus granulosus GPCR family 2 0.0018 0.0142 0.0142
Loa Loa (eye worm) hypothetical protein 0.002 0.0217 0.0463
Loa Loa (eye worm) hypothetical protein 0.0021 0.0239 0.0509
Echinococcus multilocularis Niemann Pick C1 protein 0.0111 0.2958 0.2958
Loa Loa (eye worm) hypothetical protein 0.0018 0.0143 0.0304
Loa Loa (eye worm) hypothetical protein 0.0021 0.0239 0.0509
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0217 0.1691
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0324 1
Echinococcus multilocularis tumor protein p63 0.0344 1 1
Brugia malayi Steroid receptor seven-up type 2 0.0021 0.0239 0.042
Schistosoma mansoni lamin 0.0027 0.0423 0.0351
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0324 0.0604
Loa Loa (eye worm) hypothetical protein 0.0018 0.0143 0.0304
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0024 0.0324 1
Schistosoma mansoni thyroid hormone receptor 0.0282 0.8131 1
Loa Loa (eye worm) hypothetical protein 0.005 0.1127 0.2401
Schistosoma mansoni lamin 0.0027 0.0423 0.0351
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.002 0.0217 0.0094
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0021 0.0239 0.0509
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.0143 0.139
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.0239 0.0239
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0021 0.0239 0.0509
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0217 0.1691
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0018 0.0143 0.5
Echinococcus multilocularis protein patched 0.0048 0.1044 0.1044
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0021 0.0239 0.042
Brugia malayi intermediate filament protein 0.0027 0.0423 0.0817
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0423 0.0817
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0051 0.1151 0.5
Echinococcus multilocularis muscleblind protein 1 0.0168 0.4692 0.4692
Schistosoma mansoni hypothetical protein 0.0205 0.5788 0.7067
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0324 0.039
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0113 0.301 0.3589
Mycobacterium tuberculosis Conserved hypothetical protein 0.002 0.0217 0.4933
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0021 0.0239 0.0509
Echinococcus multilocularis dna polymerase kappa 0.002 0.0217 0.0217
Loa Loa (eye worm) hypothetical protein 0.0048 0.1044 0.2225
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.0239 0.042

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.2311 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.6891 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

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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