Detailed information for compound 1458127

Basic information

Technical information
  • TDR Targets ID: 1458127
  • Name: 1-[(2,4-dichlorophenyl)methyl]-5-pyrrolidin-1 -ylsulfonylpyridin-2-one
  • MW: 387.281 | Formula: C16H16Cl2N2O3S
  • H donors: 0 H acceptors: 3 LogP: 2.49 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(c(c1)Cl)Cn1cc(ccc1=O)S(=O)(=O)N1CCCC1
  • InChi: 1S/C16H16Cl2N2O3S/c17-13-4-3-12(15(18)9-13)10-19-11-14(5-6-16(19)21)24(22,23)20-7-1-2-8-20/h3-6,9,11H,1-2,7-8,10H2
  • InChiKey: XJEATEYAFWTPGJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-[(2,4-dichlorophenyl)methyl]-5-pyrrolidin-1-ylsulfonyl-pyridin-2-one
  • 1-[(2,4-dichlorophenyl)methyl]-5-1-pyrrolidinylsulfonyl-2-pyridinone
  • 1-(2,4-dichlorobenzyl)-5-pyrrolidin-1-ylsulfonyl-2-pyridone
  • ZINC05498534
  • T5497360

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide 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
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0038 0.0379 0.0412
Echinococcus granulosus thyroid hormone receptor alpha 0.0018 0.003 0.003
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0018 0.003 0.0074
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0038 0.0379 0.0412
Loa Loa (eye worm) hypothetical protein 0.0038 0.0379 0.0412
Echinococcus multilocularis inosine 5' monophosphate dehydrogenase 2 0.0286 0.4614 0.4614
Brugia malayi ecdysteroid receptor 0.0038 0.0379 0.0412
Brugia malayi inosine-5'-monophosphate dehydrogenase 0.0122 0.1806 0.1966
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB2 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase 0.0286 0.4614 1
Echinococcus multilocularis tumor protein p63 0.0327 0.5324 0.5324
Loa Loa (eye worm) hypothetical protein 0.0043 0.0464 0.0505
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0464 0.0505
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0791 0.1679
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0072 0.0114
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0038 0.0379 0.0379
Loa Loa (eye worm) hypothetical protein 0.002 0.0067 0.0073
Mycobacterium ulcerans inosine 5'-monophosphate dehydrogenase 0.0286 0.4614 1
Brugia malayi hypothetical protein 0.002 0.0067 0.0073
Onchocerca volvulus Putative GMP reductase 0.0122 0.1806 0.4458
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0791 0.1679
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0072 0.0155
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0045 0.0049
Loa Loa (eye worm) steroid hormone receptor 0.0038 0.0379 0.0412
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0018 0.003 0.003
Leishmania major cathepsin L-like protease 0.0063 0.0791 0.1713
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0464 0.1145
Brugia malayi tailless protein 0.0018 0.003 0.0033
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0018 0.003 0.003
Brugia malayi Pre-SET motif family protein 0.0032 0.0265 0.0288
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0464 0.0505
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.4481 0.9709
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0038 0.0379 0.0412
Entamoeba histolytica hypothetical protein 0.0075 0.1 1
Brugia malayi steroid hormone receptor 0.0038 0.0379 0.0412
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0072 0.0114
Brugia malayi hypothetical protein 0.0018 0.003 0.0033
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.0589 0.0589
Onchocerca volvulus 0.0018 0.003 0.0074
Loa Loa (eye worm) hypothetical protein 0.0041 0.0424 0.0462
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0018 0.003 0.003
Entamoeba histolytica deoxycytidyl transferase, putative 0.0021 0.0072 0.0717
Brugia malayi ImpB/MucB/SamB family protein 0.0021 0.0072 0.0078
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0038 0.0379 0.0379
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0072 0.0155
Echinococcus granulosus Nuclear hormone receptor HR96 0.0018 0.003 0.003
Brugia malayi hypothetical protein 0.0262 0.4217 0.459
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0038 0.0379 0.0379
Brugia malayi nuclear receptor NHR-88 0.0038 0.0379 0.0412
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0018 0.0019 0.0019
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0038 0.0379 0.0379
Mycobacterium ulcerans inosine 5-monophosphate dehydrogenase 0.0132 0.1977 0.4194
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0038 0.0379 0.0412
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0018 0.0019 0.0042
Loa Loa (eye worm) hypothetical protein 0.0032 0.0265 0.0288
Brugia malayi nuclear hormone receptor family member odr-7 0.0018 0.003 0.0033
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0072 0.0114
Toxoplasma gondii ABC1 family protein 0.0043 0.0464 0.1006
Loa Loa (eye worm) hypothetical protein 0.0018 0.003 0.0033
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0464 0.1006
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0032 0.0265 0.0265
Entamoeba histolytica hypothetical protein 0.0075 0.1 1
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB3 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase 0.0154 0.2356 0.5086
Echinococcus multilocularis nuclear receptor nhr 48 0.0018 0.003 0.003
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0018 0.003 0.003
Echinococcus granulosus histone lysine methyltransferase setb 0.0032 0.0265 0.0265
Brugia malayi isocitrate dehydrogenase 0.0018 0.0019 0.0021
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0464 0.1006
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0045 0.0045
Plasmodium vivax SET domain protein, putative 0.0032 0.0265 0.0596
Trypanosoma brucei DNA polymerase eta, putative 0.0048 0.0538 0.1128
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0589 0.1276
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0018 0.0019 0.0042
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0791 0.1679
Schistosoma mansoni nuclear receptor 0.0018 0.003 0.0065
Brugia malayi Isocitrate dehydrogenase 0.0018 0.0019 0.0021
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0018 0.003 0.0065
Schistosoma mansoni hypothetical protein 0.0019 0.0045 0.0098
Brugia malayi beta-lactamase family protein 0.0043 0.0464 0.0505
Mycobacterium tuberculosis Conserved protein 0.0043 0.0464 0.0968
Onchocerca volvulus 0.0038 0.0379 0.0935
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0032 0.0265 0.0574
Brugia malayi orphan nuclear receptor NR2E1 0.0018 0.003 0.0033
Brugia malayi Nuclear hormone receptor E75 0.0018 0.003 0.0033
Trypanosoma cruzi cysteine peptidase, putative 0.0063 0.0791 0.1713
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0038 0.0379 0.0412
Trypanosoma brucei unspecified product 0.0021 0.0072 0.0114
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0464 0.1145
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0464 0.0464
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0286 0.4614 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0265 0.0574
Loa Loa (eye worm) isocitrate dehydrogenase 0.0018 0.0019 0.0021
Loa Loa (eye worm) hypothetical protein 0.0018 0.003 0.0033
Onchocerca volvulus 0.0018 0.003 0.0074
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0038 0.0379 0.0821
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0032 0.0265 0.0265
Schistosoma mansoni zinc finger protein 0.0018 0.003 0.0065
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0072 0.0114
Schistosoma mansoni terminal deoxycytidyl transferase 0.0021 0.0072 0.0155
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0038 0.0379 0.0379
Brugia malayi beta-lactamase family protein 0.0043 0.0464 0.0505
Trypanosoma brucei GMP reductase 0.0286 0.4614 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0038 0.0379 0.0412
Onchocerca volvulus 0.0043 0.0464 0.1145
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0045 0.0049
Loa Loa (eye worm) hypothetical protein 0.0043 0.0464 0.0505
Trypanosoma brucei inosine-5'-monophosphate dehydrogenase 0.0286 0.4614 1
Echinococcus granulosus GPCR family 2 0.0019 0.0045 0.0045
Schistosoma mansoni hypothetical protein 0.0019 0.0045 0.0098
Brugia malayi ecdysone receptor 0.0018 0.003 0.0033
Trypanosoma cruzi cysteine peptidase, putative 0.0063 0.0791 0.1713
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB3 (IMP dehydrogenase 2) (inosinic acid dehydrogenase) (inosinate dehydrogena 0.0154 0.2356 0.4559
Loa Loa (eye worm) hypothetical protein 0.0018 0.003 0.0033
Loa Loa (eye worm) hypothetical protein 0.0018 0.003 0.0033
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0589 0.1276
Schistosoma mansoni nuclear hormone receptor 0.0038 0.0379 0.0821
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0038 0.0379 0.0412
Brugia malayi photoreceptor-specific nuclear receptor 0.0552 0.9187 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0791 0.1679
Echinococcus multilocularis FTZ F1 alpha 0.0038 0.0379 0.0379
Onchocerca volvulus 0.0043 0.0464 0.1145
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0038 0.0379 0.0379
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0791 0.1679
Brugia malayi nuclear hormone receptor 0.0018 0.003 0.0033
Schistosoma mansoni transcription factor LCR-F1 0.0075 0.1 0.2167
Schistosoma mansoni hypothetical protein 0.0054 0.0636 0.1379
Echinococcus granulosus nuclear receptor nhr 48 0.0018 0.003 0.003
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0018 0.0019 0.0019
Loa Loa (eye worm) hypothetical protein 0.0018 0.003 0.0033
Leishmania major guanosine monophosphate reductase 0.0286 0.4614 1
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0021 0.0072 0.0078
Leishmania major DNA polymerase eta, putative 0.0048 0.0538 0.1165
Schistosoma mansoni RAR-like nuclear receptor 0.0038 0.0379 0.0821
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0018 0.0019 0.0019
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0464 0.0464
Mycobacterium tuberculosis Conserved protein 0.0043 0.0464 0.0968
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0038 0.0379 0.0412
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0464 0.1006
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0018 0.003 0.0033
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0051 0.0589 0.0641
Loa Loa (eye worm) hypothetical protein 0.002 0.0067 0.0073
Echinococcus granulosus dna polymerase kappa 0.0021 0.0072 0.0072
Mycobacterium ulcerans lipase LipD 0.0043 0.0464 0.0864
Brugia malayi Nuclear hormone receptor-like 1 0.002 0.0067 0.0073
Schistosoma mansoni survival motor neuron protein 0.0054 0.0636 0.1379
Leishmania major hypothetical protein, conserved 0.0043 0.0464 0.1006
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0038 0.0379 0.0412
Trypanosoma cruzi cysteine peptidase, putative 0.0063 0.0791 0.1713
Entamoeba histolytica hypothetical protein 0.0075 0.1 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0265 0.0574
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0072 0.0114
Toxoplasma gondii isocitrate dehydrogenase 0.0018 0.0019 0.0042
Brugia malayi Nuclear hormone receptor E75 0.0018 0.003 0.0033
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0265 0.0574
Brugia malayi inosine-5'-monophosphate dehydrogenase 0.0122 0.1806 0.1966
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0791 0.1679
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0751 0.0817
Loa Loa (eye worm) hypothetical protein 0.0048 0.0538 0.0585
Loa Loa (eye worm) GMP reductase 0.0122 0.1806 0.1966
Echinococcus granulosus inosine 5' monophosphate dehydrogenase 2 0.0286 0.4614 0.4614
Loa Loa (eye worm) hypothetical protein 0.002 0.0067 0.0073
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0072 0.0114
Brugia malayi nuclear receptor NHR-88 0.0018 0.003 0.0033
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0038 0.0379 0.0412
Loa Loa (eye worm) nuclear hormone receptor 0.0018 0.003 0.0033
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0038 0.0379 0.0412
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0038 0.0379 0.0821
Brugia malayi inosine-5'-monophosphate dehydrogenase family protein 0.0286 0.4614 0.5022
Loa Loa (eye worm) hypothetical protein 0.0018 0.003 0.0033
Echinococcus granulosus dna polymerase eta 0.0048 0.0538 0.0538
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.002 0.0067 0.0067
Echinococcus multilocularis ecdysone induced protein 78C 0.0038 0.0379 0.0379
Trichomonas vaginalis esterase, putative 0.0043 0.0464 0.1145
Schistosoma mansoni hypothetical protein 0.0019 0.0045 0.0098
Loa Loa (eye worm) hypothetical protein 0.0018 0.003 0.0033
Echinococcus multilocularis thyroid hormone receptor alpha 0.0038 0.0379 0.0379
Loa Loa (eye worm) hypothetical protein 0.0018 0.003 0.0033
Loa Loa (eye worm) hypothetical protein 0.002 0.0067 0.0073
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0018 0.0019 0.0042
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0054 0.0636 0.0692
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0031 0.0245 0.0245
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0464 0.1044
Brugia malayi Nuclear hormone receptor-like 1 0.0038 0.0379 0.0412
Onchocerca volvulus 0.0253 0.4051 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0464 0.1145
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0222 0.3526 0.3837
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.0464 0.0968
Mycobacterium ulcerans beta-lactamase 0.0043 0.0464 0.0864
Echinococcus granulosus survival motor neuron protein 1 0.0262 0.4217 0.4217
Schistosoma mansoni hypothetical protein 0.0019 0.0045 0.0098
Loa Loa (eye worm) nuclear receptor NHR-67 0.0018 0.003 0.0033
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.0589 0.0589
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0791 0.1679
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0072 0.0114
Onchocerca volvulus 0.0054 0.0636 0.157
Brugia malayi Nuclear hormone receptor-like 1 0.002 0.0067 0.0073
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.0464 0.0968
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0038 0.0379 0.0412
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0038 0.0379 0.0379
Loa Loa (eye worm) hypothetical protein 0.0019 0.0045 0.0049
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0038 0.0379 0.0821
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0038 0.0379 0.0412
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.0464 0.0968
Loa Loa (eye worm) hypothetical protein 0.0552 0.9187 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0379 0.0412
Loa Loa (eye worm) hypothetical protein 0.0018 0.003 0.0033
Schistosoma mansoni nuclear receptor nhr-48 0.0018 0.003 0.0065
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0038 0.0379 0.0412
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0791 0.1679
Echinococcus granulosus FTZ F1 alpha 0.0038 0.0379 0.0379
Loa Loa (eye worm) hypothetical protein 0.0048 0.0539 0.0587
Trypanosoma cruzi GMP reductase 0.0286 0.4614 1
Plasmodium falciparum inosine-5'-monophosphate dehydrogenase 0.0276 0.4444 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0038 0.0379 0.0935
Loa Loa (eye worm) hypothetical protein 0.006 0.0751 0.0817
Echinococcus granulosus ecdysone induced protein 78C 0.0038 0.0379 0.0379
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB2 (IMP dehydrogenase) (IMPDH) (IMPD) 0.0286 0.4614 1
Onchocerca volvulus 0.0032 0.0265 0.0653
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0038 0.0379 0.0379
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0038 0.0379 0.0379
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0075 0.1 0.1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0464 0.0505
Brugia malayi nuclear hormone receptor 0.0038 0.0379 0.0412
Leishmania major DNA polymerase eta, putative 0.0034 0.0294 0.0637
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0286 0.4614 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0751 0.0817
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0018 0.0019 0.0042
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0038 0.0379 0.0379
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0018 0.003 0.003
Wolbachia endosymbiont of Brugia malayi IMP dehydrogenase 0.0286 0.4614 0.5
Brugia malayi hypothetical protein 0.002 0.0067 0.0073
Echinococcus multilocularis isocitrate dehydrogenase 0.0018 0.0019 0.0019
Onchocerca volvulus 0.0048 0.0539 0.133
Mycobacterium tuberculosis Conserved protein 0.0043 0.0464 0.0968
Schistosoma mansoni DNA polymerase eta 0.0048 0.0538 0.1165
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0021 0.0072 0.0177
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0038 0.0379 0.0379
Schistosoma mansoni hypothetical protein 0.0041 0.0424 0.0919
Schistosoma mansoni inosine-5-monophosphate dehydrogenase 0.0286 0.4614 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0038 0.0379 0.0935
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0045 0.0045
Loa Loa (eye worm) beta-lactamase 0.0043 0.0464 0.0505
Echinococcus multilocularis survival motor neuron protein 1 0.0262 0.4217 0.4217
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.0464 0.0968
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0464 0.1006
Echinococcus granulosus Nuclear hormone receptor HR96 0.0018 0.003 0.003
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.002 0.0067 0.0073
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0038 0.0379 0.0412
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0021 0.0072 0.0072
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0072 0.0114
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0045 0.0049
Loa Loa (eye worm) hypothetical protein 0.0043 0.0464 0.0505
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.0464 0.0968
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0045 0.0045
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0038 0.0379 0.0379
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0018 0.003 0.0074
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0464 0.1145
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0018 0.003 0.003
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0021 0.0072 0.0072
Leishmania major inosine-5-monophosphate dehydrogenase 0.0286 0.4614 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.003 0.0033
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0038 0.0379 0.0412
Echinococcus multilocularis nuclear receptor co repressor related (ncor) 0.06 1 1
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0464 0.0968
Leishmania major DNA polymerase kappa, putative 0.0021 0.0072 0.0155
Mycobacterium tuberculosis Conserved hypothetical protein 0.0021 0.0072 0.0114
Loa Loa (eye worm) hypothetical protein 0.0018 0.003 0.0033
Mycobacterium ulcerans inosine 5-monophosphate dehydrogenase 0.0276 0.4444 0.9625
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0072 0.0155
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0038 0.0379 0.0412
Onchocerca volvulus Bile acid receptor homolog 0.0038 0.0379 0.0935
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0072 0.0114
Trypanosoma cruzi DNA polymerase eta, putative 0.0034 0.0294 0.0637
Brugia malayi conserved hypotetical protein 0.0018 0.003 0.0033
Loa Loa (eye worm) hypothetical protein 0.0038 0.0379 0.0412
Trichomonas vaginalis set domain proteins, putative 0.0253 0.4051 1
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.0464 0.0968
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0018 0.003 0.003
Schistosoma mansoni coup transcription factor 0.0038 0.0379 0.0821
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0072 0.0155
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0464 0.0864
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0791 0.1679
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0791 0.1679
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0018 0.003 0.0033
Echinococcus multilocularis GPCR, family 2 0.0019 0.0045 0.0045
Onchocerca volvulus 0.0043 0.0464 0.1145
Schistosoma mansoni nuclear receptor 0.0018 0.003 0.0065
Plasmodium vivax inosine-5'-monophosphate dehydrogenase, putative 0.0276 0.4444 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.002 0.0067 0.0146
Schistosoma mansoni retinoic acid receptor RXR 0.0038 0.0379 0.0821
Loa Loa (eye worm) hypothetical protein 0.0018 0.003 0.0033
Schistosoma mansoni steroid hormone receptor ad4bp 0.0038 0.0379 0.0821
Brugia malayi hypothetical protein 0.0075 0.1 0.1088
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0464 0.1145
Giardia lamblia DINP protein human, muc B family 0.0021 0.0072 0.5
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0018 0.0019 0.0019
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0018 0.0019 0.0019
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0075 0.1 0.1
Schistosoma mansoni thyroid hormone receptor 0.0038 0.0379 0.0821
Loa Loa (eye worm) hypothetical protein 0.0038 0.0379 0.0412
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0072 0.0114
Schistosoma mansoni nuclear hormone receptor 0.0018 0.003 0.0065
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.0589 0.0589
Trypanosoma cruzi GMP reductase 0.0286 0.4614 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0751 0.0817
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0038 0.0379 0.0412
Brugia malayi Steroid receptor seven-up type 2 0.0038 0.0379 0.0412
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0791 0.1679
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0286 0.4614 1
Toxoplasma gondii IMP dehydrogenas 0.0286 0.4614 1
Trypanosoma cruzi cruzipain precursor, putative 0.0063 0.0791 0.1713
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0072 0.0114
Loa Loa (eye worm) hypothetical protein 0.002 0.0067 0.0073
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0038 0.0379 0.0412
Brugia malayi beta-lactamase 0.0043 0.0464 0.0505
Schistosoma mansoni hypothetical protein 0.0075 0.1 0.2167
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0038 0.0379 0.0821
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0018 0.003 0.0065
Loa Loa (eye worm) hypothetical protein 0.0043 0.0464 0.0505
Echinococcus multilocularis dna polymerase eta 0.0048 0.0538 0.0538
Loa Loa (eye worm) IMP dehydrogenase 1 0.0286 0.4614 0.5022
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0038 0.0379 0.0412
Echinococcus multilocularis dna polymerase kappa 0.0021 0.0072 0.0072
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0018 0.0019 0.0043
Loa Loa (eye worm) DR-78 0.0018 0.003 0.0033
Loa Loa (eye worm) hypothetical protein 0.0043 0.0464 0.0505
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.002 0.0067 0.0146
Trypanosoma cruzi major cysteine proteinase, putative 0.0049 0.0561 0.1216
Loa Loa (eye worm) hypothetical protein 0.0038 0.0379 0.0412
Loa Loa (eye worm) hypothetical protein 0.0038 0.0379 0.0412
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0057 0.0698 0.1512
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0464 0.0864
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0038 0.0379 0.0821
Schistosoma mansoni thyroid hormone receptor 0.0038 0.0379 0.0821
Leishmania major cathepsin L-like protease 0.0063 0.0791 0.1713
Brugia malayi nuclear receptor NHR-67 0.0018 0.003 0.0033
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0021 0.0072 0.0155
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0038 0.0379 0.0379
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.002 0.0067 0.0067
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0034 0.0294 0.0637
Brugia malayi Pre-SET motif family protein 0.0222 0.3526 0.3837
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0045 0.0045
Schistosoma mansoni cellular tumor antigen P53 0.0048 0.0539 0.1168
Schistosoma mansoni nuclear hormone receptor 0.0018 0.003 0.0065
Mycobacterium leprae PROBABLE INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE GUAB1(IMP DEHYDROGENASE) (IMPDH) (IMPD) 0.0132 0.1977 0.3645
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0072 0.0114
Mycobacterium ulcerans hypothetical protein 0.0043 0.0464 0.0864
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0021 0.0072 0.0155
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0038 0.0379 0.0412
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0589 0.1276
Trypanosoma cruzi DNA polymerase eta, putative 0.0048 0.0538 0.1165
Loa Loa (eye worm) hypothetical protein 0.0018 0.003 0.0033
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0424 0.0462
Leishmania major cathepsin L-like protease 0.0063 0.0791 0.1713
Toxoplasma gondii isocitrate dehydrogenase 0.0018 0.0019 0.0042
Brugia malayi GMP reductase 0.0122 0.1806 0.1966
Trichomonas vaginalis DNA polymerase eta, putative 0.0021 0.0072 0.0177
Brugia malayi ImpB/MucB/SamB family protein 0.0048 0.0538 0.0585
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.0589 0.0589
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0021 0.0072 0.0114
Brugia malayi nuclear receptor RXR 0.0018 0.003 0.0033
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0051 0.0589 0.0641
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0032 0.0265 0.0574
Echinococcus granulosus tumor protein p63 0.0327 0.5324 0.5324
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0038 0.0379 0.0821
Entamoeba histolytica hypothetical protein 0.0075 0.1 1
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0018 0.0019 0.0043
Brugia malayi nuclear receptor RXR 0.002 0.0067 0.0073
Loa Loa (eye worm) hypothetical protein 0.0262 0.4217 0.459
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.0464 0.0968
Brugia malayi hypothetical protein 0.0018 0.003 0.0033
Brugia malayi nuclear hormone receptor family member nhr-6 0.0018 0.003 0.0033
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0072 0.0114

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 1.2589 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) 5.2213 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) 7.9433 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10.4179 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) 14.581 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) 28.1838 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) 100 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
Potency (functional) 125.8925 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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