Detailed information for compound 694192

Basic information

Technical information
  • TDR Targets ID: 694192
  • Name: N'-(4-fluorophenyl)-N-[[1-(4-methylphenyl)sul fonylpyrrolidin-2-yl]methyl]oxamide
  • MW: 419.47 | Formula: C20H22FN3O4S
  • H donors: 2 H acceptors: 4 LogP: 2.67 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)S(=O)(=O)N1CCCC1CNC(=O)C(=O)Nc1ccc(cc1)F
  • InChi: 1S/C20H22FN3O4S/c1-14-4-10-18(11-5-14)29(27,28)24-12-2-3-17(24)13-22-19(25)20(26)23-16-8-6-15(21)7-9-16/h4-11,17H,2-3,12-13H2,1H3,(H,22,25)(H,23,26)
  • InChiKey: JBJYJMZROMLJJF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N'-(4-fluorophenyl)-N-[[1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]methyl]oxamide
  • N'-(4-fluorophenyl)-N-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]ethanediamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 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
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
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
Schistosoma mansoni hypothetical protein 0.0205 0.0276 0.0276
Trypanosoma cruzi trypanothione reductase, putative 0.0091 0.0095 0.0353
Mycobacterium tuberculosis Probable oxidoreductase 0.0231 0.0317 0.1182
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0855 0.1313 0.1313
Loa Loa (eye worm) IMP dehydrogenase 1 0.1716 0.2684 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0053 0.0035 0.0129
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.004 0.0014 0.0052
Brugia malayi Glycosyl hydrolases family 31 protein 0.0038 0.0011 0.0041
Loa Loa (eye worm) hypothetical protein 0.0074 0.0067 0.0245
Trichomonas vaginalis penicillin-binding protein, putative 0.0074 0.0067 0.1867
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0039 0.0012 0.0045
Onchocerca volvulus 0.005 0.003 0.0246
Mycobacterium ulcerans lipase LipD 0.0074 0.0067 0.025
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0471 0.07 0.2607
Brugia malayi Inositol-1 0.0039 0.0012 0.0045
Mycobacterium tuberculosis Conserved hypothetical protein 0.004 0.0014 0.0052
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0014 0.0052
Echinococcus multilocularis thioredoxin glutathione reductase 0.0091 0.0096 0.0096
Schistosoma mansoni aldehyde dehydrogenase 0.0067 0.0057 0.0057
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0067 0.0057 0.0057
Brugia malayi Glycosyl hydrolases family 31 protein 0.0173 0.0225 0.084
Plasmodium falciparum glutathione reductase 0.0091 0.0095 0.0353
Onchocerca volvulus 0.0294 0.0419 0.3611
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0207 0.028 0.1045
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.0011 0.0304
Mycobacterium ulcerans DNA polymerase IV 0.004 0.0014 0.0052
Brugia malayi glutathione reductase 0.0091 0.0095 0.0353
Echinococcus multilocularis lysosomal alpha glucosidase 0.0173 0.0225 0.0225
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0109 0.0124 0.0458
Entamoeba histolytica hypothetical protein 0.0043 0.0019 1
Mycobacterium leprae PROBABLE INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE GUAB1(IMP DEHYDROGENASE) (IMPDH) (IMPD) 0.0758 0.1158 0.4302
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0231 0.0317 0.1164
Schistosoma mansoni sex comb on midleg homolog 0.005 0.003 0.003
Mycobacterium ulcerans inosine 5-monophosphate dehydrogenase 0.0758 0.1158 0.4314
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0039 0.0012 0.0045
Echinococcus granulosus dna polymerase eta 0.004 0.0014 0.0014
Schistosoma mansoni hypothetical protein 0.0205 0.0276 0.0276
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0035 0.0005 0.002
Echinococcus multilocularis inositol monophosphatase 1 0.0039 0.0012 0.0012
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.004 0.0014 0.0052
Brugia malayi hypothetical protein 0.0034 0.0005 0.0017
Schistosoma mansoni alpha glucosidase 0.0038 0.0011 0.0011
Loa Loa (eye worm) hypothetical protein 0.0053 0.0035 0.0124
Echinococcus multilocularis neuropeptide s receptor 0.0939 0.1446 0.1446
Trichomonas vaginalis D-aminoacylase, putative 0.0074 0.0067 0.1867
Loa Loa (eye worm) hypothetical protein 0.0074 0.0067 0.0245
Echinococcus granulosus GPCR family 2 0.0035 0.0005 0.0005
Leishmania major DNA polymerase eta, putative 0.004 0.0014 0.0052
Plasmodium vivax glutathione reductase, putative 0.0091 0.0095 0.0353
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.004 0.0014 0.0014
Schistosoma mansoni alpha-glucosidase 0.0149 0.0187 0.0187
Trypanosoma brucei DNA polymerase eta, putative 0.004 0.0014 0.0052
Trypanosoma brucei DNA polymerase IV, putative 0.004 0.0014 0.0052
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0145 0.0181 0.0669
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0231 0.0317 0.1182
Entamoeba histolytica hypothetical protein 0.0043 0.0019 1
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB3 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase 0.0958 0.1476 0.5499
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0032 0.0001 0.0001
Loa Loa (eye worm) beta-lactamase 0.0074 0.0067 0.0245
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.1716 0.2684 1
Mycobacterium tuberculosis Probable hydrolase 0.0074 0.0067 0.025
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0074 0.0067 0.025
Brugia malayi mbt repeat family protein 0.005 0.003 0.0112
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0074 0.0067 0.025
Trichomonas vaginalis inositol monophosphatase, putative 0.0039 0.0012 0.0333
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0038 0.0011 0.0304
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.004 0.0014 0.0391
Mycobacterium ulcerans aldehyde dehydrogenase 0.0067 0.0057 0.0213
Mycobacterium tuberculosis Conserved protein 0.0074 0.0067 0.025
Mycobacterium tuberculosis Probable lipase LipD 0.0074 0.0067 0.025
Trypanosoma cruzi hypothetical protein, conserved 0.0074 0.0067 0.025
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.0011 0.0304
Loa Loa (eye worm) hypothetical protein 0.0057 0.0041 0.0148
Leishmania major hypothetical protein, conserved 0.0053 0.0035 0.0129
Trypanosoma cruzi DNA polymerase kappa, putative 0.004 0.0014 0.0052
Loa Loa (eye worm) hypothetical protein 0.0035 0.0005 0.0013
Schistosoma mansoni microtubule-associated protein tau 0.6307 1 1
Mycobacterium ulcerans DNA polymerase IV 0.004 0.0014 0.0052
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0173 0.0225 0.0835
Echinococcus multilocularis microtubule associated protein 2 0.6307 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0145 0.0181 0.0181
Trypanosoma brucei GMP reductase 0.1716 0.2684 1
Trichomonas vaginalis maltase-glucoamylase, putative 0.0038 0.0011 0.0304
Loa Loa (eye worm) GMP reductase 0.0758 0.1158 0.4311
Brugia malayi GMP reductase 0.0758 0.1158 0.4314
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0011 0.0041
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0019 0.0019
Leishmania major trypanothione reductase 0.0091 0.0095 0.0353
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0145 0.0181 0.0181
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0249 0.0347 0.1287
Mycobacterium tuberculosis Probable reductase 0.0207 0.028 0.1045
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0057 0.0041 0.0041
Schistosoma mansoni inositol monophosphatase 0.0039 0.0012 0.0012
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0014 0.0052
Loa Loa (eye worm) thioredoxin reductase 0.0091 0.0095 0.0348
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.0011 0.0304
Mycobacterium leprae Probable lipase LipE 0.0074 0.0067 0.023
Leishmania major DNA polymerase kappa, putative 0.004 0.0014 0.0052
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0074 0.0067 0.025
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0014 0.0052
Onchocerca volvulus 0.0074 0.0067 0.0568
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.1716 0.2684 1
Loa Loa (eye worm) hypothetical protein 0.0074 0.0067 0.0245
Mycobacterium tuberculosis Probable dehydrogenase 0.0207 0.028 0.1045
Brugia malayi Latrophilin receptor protein 2 0.0035 0.0005 0.0018
Trypanosoma cruzi DNA polymerase kappa, putative 0.004 0.0014 0.0052
Schistosoma mansoni terminal deoxycytidyl transferase 0.004 0.0014 0.0014
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.004 0.0014 0.0014
Echinococcus multilocularis geminin 0.0205 0.0276 0.0276
Brugia malayi latrophilin 2 splice variant baaae 0.0075 0.0069 0.0257
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0057 0.0041 0.0153
Schistosoma mansoni hypothetical protein 0.0035 0.0005 0.0005
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.004 0.0014 0.0014
Echinococcus granulosus lysosomal alpha glucosidase 0.0173 0.0225 0.0225
Loa Loa (eye worm) hypothetical protein 0.0075 0.0069 0.0252
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0011 0.0041
Echinococcus granulosus beta LACTamase domain containing family member 0.0074 0.0067 0.0067
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0057 0.0041 0.0041
Brugia malayi follicle stimulating hormone receptor 0.0249 0.0347 0.1292
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0039 0.0012 0.0045
Loa Loa (eye worm) hypothetical protein 0.004 0.0014 0.0047
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0145 0.0181 0.0181
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.1716 0.2684 1
Leishmania major alpha glucosidase II subunit, putative 0.0038 0.0011 0.0041
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0067 0.0057 0.0213
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0109 0.0124 0.0463
Trypanosoma cruzi GMP reductase 0.1716 0.2684 1
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0014 0.0052
Echinococcus granulosus thioredoxin glutathione reductase 0.0091 0.0096 0.0096
Echinococcus granulosus neuropeptide s receptor 0.0939 0.1446 0.1446
Onchocerca volvulus 0.0074 0.0067 0.0568
Echinococcus granulosus neutral alpha glucosidase AB 0.0038 0.0011 0.0011
Echinococcus granulosus inosine 5' monophosphate dehydrogenase 2 0.1716 0.2684 0.2684
Schistosoma mansoni alpha-glucosidase 0.0149 0.0187 0.0187
Plasmodium falciparum thioredoxin reductase 0.0091 0.0095 0.0353
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0231 0.0317 0.1182
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0019 0.0019
Plasmodium falciparum inosine-5'-monophosphate dehydrogenase 0.1716 0.2684 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0053 0.0035 0.0129
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0014 0.0052
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0014 0.0052
Mycobacterium tuberculosis Conserved protein 0.0074 0.0067 0.025
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0039 0.0012 0.0045
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0207 0.028 0.1045
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0035 0.0005 0.0005
Brugia malayi MH2 domain containing protein 0.0247 0.0344 0.1281
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0067 0.0057 0.0057
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0145 0.0181 0.0181
Echinococcus multilocularis lysosomal alpha glucosidase 0.0173 0.0225 0.0225
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0014 0.0052
Toxoplasma gondii aldehyde dehydrogenase 0.0067 0.0057 0.0213
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0038 0.0011 0.0041
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0035 0.0005 0.0005
Brugia malayi Pre-SET motif family protein 0.0032 0.0001 0.0005
Plasmodium vivax thioredoxin reductase, putative 0.0091 0.0095 0.0353
Mycobacterium ulcerans inosine 5'-monophosphate dehydrogenase 0.1716 0.2684 1
Leishmania major hypothetical protein, conserved 0.0074 0.0067 0.025
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0014 0.0052
Trypanosoma brucei inosine-5'-monophosphate dehydrogenase 0.1716 0.2684 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0053 0.0035 0.0129
Echinococcus granulosus histone acetyltransferase MYST2 0.0057 0.0041 0.0041
Trypanosoma brucei unspecified product 0.004 0.0014 0.0052
Brugia malayi mbt repeat family protein 0.005 0.003 0.0112
Trichomonas vaginalis DNA polymerase eta, putative 0.004 0.0014 0.0391
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0226 0.031 0.115
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0207 0.028 0.1026
Trypanosoma cruzi DNA polymerase kappa, putative 0.004 0.0014 0.0052
Plasmodium vivax hypothetical protein, conserved 0.0074 0.0067 0.025
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB2 (IMP dehydrogenase) (IMPDH) (IMPD) 0.1716 0.2684 1
Echinococcus multilocularis dna polymerase kappa 0.004 0.0014 0.0014
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0074 0.0067 0.0067
Echinococcus multilocularis GPCR, family 2 0.0035 0.0005 0.0005
Echinococcus multilocularis dna polymerase eta 0.004 0.0014 0.0014
Mycobacterium ulcerans inosine 5-monophosphate dehydrogenase 0.1716 0.2684 1
Schistosoma mansoni myelin transcription factor 1 myt1 0.0057 0.0041 0.0041
Loa Loa (eye worm) hypothetical protein 0.0074 0.0067 0.0245
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0207 0.028 0.1045
Trichomonas vaginalis penicillin-binding protein, putative 0.0074 0.0067 0.1867
Echinococcus granulosus neuropeptide receptor A26 0.0939 0.1446 0.1446
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0198 0.0266 0.0266
Loa Loa (eye worm) inositol-1 0.0039 0.0012 0.0039
Brugia malayi Calcitonin receptor-like protein seb-1 0.0109 0.0124 0.0463
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0014 0.0052
Loa Loa (eye worm) MBCTL1 0.0057 0.0041 0.0148
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0035 0.0005 0.0005
Brugia malayi Pre-SET motif family protein 0.0226 0.031 0.1155
Mycobacterium ulcerans esterase/lipase LipP 0.0074 0.0067 0.025
Brugia malayi ImpB/MucB/SamB family protein 0.004 0.0014 0.0052
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0032 0 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0247 0.0344 0.1276
Leishmania major guanosine monophosphate reductase 0.1716 0.2684 1
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.005 0.003 0.003
Echinococcus multilocularis SAM and MBT domain containing protein 0.005 0.003 0.003
Echinococcus multilocularis polycomb protein SCMH1 0.005 0.003 0.003
Giardia lamblia DINP protein human, muc B family 0.004 0.0014 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0067 0.0057 0.0213
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0074 0.0067 0.025
Loa Loa (eye worm) glutathione reductase 0.0091 0.0095 0.0348
Brugia malayi hypothetical protein 0.0043 0.0019 0.0071
Loa Loa (eye worm) hypothetical protein 0.0074 0.0067 0.0245
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0032 0.0001 0.0001
Trypanosoma cruzi hypothetical protein, conserved 0.0074 0.0067 0.025
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB3 (IMP dehydrogenase 2) (inosinic acid dehydrogenase) (inosinate dehydrogena 0.0958 0.1476 0.549
Treponema pallidum NADH oxidase 0.0032 0 0.5
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0019 0.0019
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0038 0.0011 0.0035
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.004 0.0014 0.0047
Echinococcus multilocularis neuropeptide receptor A26 0.0939 0.1446 0.1446
Trypanosoma brucei DNA polymerase IV, putative 0.004 0.0014 0.0052
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0035 0.0005 0.0018
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0039 0.0012 0.0045
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0145 0.0181 0.0181
Schistosoma mansoni hypothetical protein 0.0075 0.0069 0.0069
Onchocerca volvulus Putative GMP reductase 0.0758 0.1158 1
Echinococcus granulosus inositol monophosphatase 1 0.0039 0.0012 0.0012
Mycobacterium ulcerans aldehyde dehydrogenase 0.0067 0.0057 0.0213
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0001 0.0001
Mycobacterium tuberculosis Probable lipase LipE 0.0074 0.0067 0.025
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0067 0.0057 0.0213
Plasmodium vivax ataxin-2 like protein, putative 0.0053 0.0035 0.0129
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0207 0.028 0.1045
Trypanosoma cruzi PAB1-binding protein , putative 0.0053 0.0035 0.0129
Onchocerca volvulus 0.01 0.0109 0.0932
Trypanosoma brucei glucosidase, putative 0.0038 0.0011 0.0041
Onchocerca volvulus 0.0257 0.036 0.3098
Trichomonas vaginalis esterase, putative 0.0074 0.0067 0.1867
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0032 0.0001 0.0005
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0145 0.0181 0.0181
Trypanosoma brucei hypothetical protein, conserved 0.0074 0.0067 0.025
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0001 0.0001
Echinococcus multilocularis inosine 5' monophosphate dehydrogenase 2 0.1716 0.2684 0.2684
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0039 0.0012 0.0333
Echinococcus multilocularis tumor protein p63 0.2012 0.3155 0.3155
Brugia malayi beta-lactamase family protein 0.0074 0.0067 0.025
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB2 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase 0.1716 0.2684 1
Brugia malayi Thioredoxin reductase 0.0091 0.0095 0.0353
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0001 0.0001
Leishmania major inosine-5-monophosphate dehydrogenase 0.1716 0.2684 1
Schistosoma mansoni cellular tumor antigen P53 0.0294 0.0419 0.0419
Toxoplasma gondii thioredoxin reductase 0.0091 0.0095 0.0353
Echinococcus multilocularis neutral alpha glucosidase AB 0.0038 0.0011 0.0011
Brugia malayi inosine-5'-monophosphate dehydrogenase 0.0758 0.1158 0.4314
Toxoplasma gondii LsmAD domain-containing protein 0.0053 0.0035 0.0129
Mycobacterium ulcerans beta-lactamase 0.0074 0.0067 0.025
Schistosoma mansoni hypothetical protein 0.0035 0.0005 0.0005
Trichomonas vaginalis D-aminoacylase, putative 0.0074 0.0067 0.1867
Trypanosoma brucei DNA polymerase IV, putative 0.004 0.0014 0.0052
Brugia malayi inosine-5'-monophosphate dehydrogenase family protein 0.1716 0.2684 1
Toxoplasma gondii IMP dehydrogenas 0.1716 0.2684 1
Entamoeba histolytica hypothetical protein 0.0043 0.0019 1
Schistosoma mansoni DNA polymerase eta 0.004 0.0014 0.0014
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.0011 0.0304
Loa Loa (eye worm) hypothetical protein 0.005 0.003 0.0106
Mycobacterium tuberculosis Conserved protein 0.0074 0.0067 0.025
Toxoplasma gondii ABC1 family protein 0.0074 0.0067 0.025
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0074 0.0067 0.0067
Entamoeba histolytica hypothetical protein 0.0043 0.0019 1
Echinococcus granulosus geminin 0.0205 0.0276 0.0276
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0145 0.0181 0.0181
Schistosoma mansoni hypothetical protein 0.0306 0.0437 0.0437
Loa Loa (eye worm) transcription factor SMAD2 0.0247 0.0344 0.1276
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0074 0.0067 0.0245
Loa Loa (eye worm) hypothetical protein 0.0109 0.0124 0.0458
Schistosoma mansoni inosine-5-monophosphate dehydrogenase 0.1716 0.2684 0.2684
Trichomonas vaginalis D-aminoacylase, putative 0.0074 0.0067 0.1867
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0039 0.0012 0.0333
Plasmodium vivax inosine-5'-monophosphate dehydrogenase, putative 0.1716 0.2684 1
Trypanosoma cruzi DNA polymerase eta, putative 0.004 0.0014 0.0052
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0039 0.0012 0.0045
Mycobacterium leprae conserved hypothetical protein 0.0074 0.0067 0.023
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0014 0.0052
Trypanosoma cruzi GMP reductase 0.1716 0.2684 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0035 0.0005 0.0005
Trypanosoma brucei PAB1-binding protein , putative 0.0053 0.0035 0.0129
Echinococcus granulosus histone lysine methyltransferase setb 0.0032 0.0001 0.0001
Brugia malayi beta-lactamase 0.0074 0.0067 0.025
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0145 0.0181 0.0674
Loa Loa (eye worm) hypothetical protein 0.0074 0.0067 0.0245
Brugia malayi ImpB/MucB/SamB family protein 0.004 0.0014 0.0052
Mycobacterium tuberculosis Probable esterase LipL 0.0074 0.0067 0.025
Wolbachia endosymbiont of Brugia malayi IMP dehydrogenase 0.1716 0.2684 1
Mycobacterium ulcerans hypothetical protein 0.0074 0.0067 0.025
Schistosoma mansoni aldehyde dehydrogenase 0.0067 0.0057 0.0057
Echinococcus multilocularis histone acetyltransferase MYST2 0.0057 0.0041 0.0041
Onchocerca volvulus 0.0074 0.0067 0.0568
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0038 0.0011 0.0304
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0039 0.0012 0.0045
Echinococcus granulosus SAM and MBT domain containing protein 0.005 0.003 0.003
Echinococcus granulosus polycomb protein SCMH1 0.005 0.003 0.003
Brugia malayi hypothetical protein 0.0053 0.0035 0.0129
Schistosoma mansoni inositol monophosphatase 0.0039 0.0012 0.0012
Plasmodium vivax SET domain protein, putative 0.0032 0.0001 0.0005
Loa Loa (eye worm) mbt repeat family protein 0.005 0.003 0.0106
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0039 0.0012 0.1272
Entamoeba histolytica deoxycytidyl transferase, putative 0.004 0.0014 0.3885
Schistosoma mansoni hypothetical protein 0.0043 0.0019 0.0019
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0074 0.0067 0.025
Loa Loa (eye worm) hypothetical protein 0.0294 0.0419 0.1556
Schistosoma mansoni sex comb on midleg homolog 0.005 0.003 0.003
Brugia malayi beta-lactamase family protein 0.0074 0.0067 0.025
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0198 0.0266 0.0266
Trypanosoma brucei trypanothione reductase 0.0091 0.0095 0.0353
Schistosoma mansoni hypothetical protein 0.0035 0.0005 0.0005
Trichomonas vaginalis sucrase-isomaltase, putative 0.0038 0.0011 0.0304
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.005 0.003 0.0246
Echinococcus granulosus dna polymerase kappa 0.004 0.0014 0.0014
Loa Loa (eye worm) latrophilin receptor protein 2 0.0035 0.0005 0.0013
Schistosoma mansoni hypothetical protein 0.0035 0.0005 0.0005
Trichomonas vaginalis set domain proteins, putative 0.0257 0.036 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.0011 0.0304
Echinococcus granulosus tumor protein p63 0.2012 0.3155 0.3155
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0091 0.0095 0.0353
Echinococcus multilocularis beta LACTamase domain containing family member 0.0074 0.0067 0.0067
Trypanosoma cruzi DNA polymerase kappa, putative 0.004 0.0014 0.0052
Brugia malayi inosine-5'-monophosphate dehydrogenase 0.0758 0.1158 0.4314
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0032 0.0001 0.0001

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.7308 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.9285 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) 5.0119 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) 7.9433 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (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
Potency (functional) 12.9953 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) 18.3564 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) 50.1187 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.