Detailed information for compound 726018

Basic information

Technical information
  • TDR Targets ID: 726018
  • Name: 3-(2-fluorophenyl)-1-(4-methoxy-2-methylpheny l)urea
  • MW: 274.29 | Formula: C15H15FN2O2
  • H donors: 2 H acceptors: 1 LogP: 2.92 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(c(c1)C)NC(=O)Nc1ccccc1F
  • InChi: 1S/C15H15FN2O2/c1-10-9-11(20-2)7-8-13(10)17-15(19)18-14-6-4-3-5-12(14)16/h3-9H,1-2H3,(H2,17,18,19)
  • InChiKey: YCRKBYHGGLTCCF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-(2-fluorophenyl)-1-(4-methoxy-2-methyl-phenyl)urea
  • IVK/0000197
  • MLS000679445
  • N-(2-fluorophenyl)-N'-(4-methoxy-2-methylphenyl)urea
  • SMR000297607
  • ZINC06725820

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens RAB9A, member RAS oncogene family Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma 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
Plasmodium falciparum ras-related protein Rab-5B RAB9A, member RAS oncogene family 201 aa 165 aa 30.9 %
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
Trypanosoma brucei DNA polymerase eta, putative 0.0038 0.0024 0.009
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0038 0.0024 0.006
Schistosoma mansoni aldehyde dehydrogenase 0.0062 0.0071 0.0066
Plasmodium vivax hypothetical protein, conserved 0.0038 0.0023 0.0067
Schistosoma mansoni alpha glucosidase 0.0038 0.0023 0.0017
Toxoplasma gondii kringle domain-containing protein 0.0031 0.0008 0.0011
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.0044 0.0146
Brugia malayi follicle stimulating hormone receptor 0.0225 0.0399 0.1484
Loa Loa (eye worm) hypothetical protein 0.0038 0.0023 0.0067
Echinococcus granulosus tissue type plasminogen activator 0.0031 0.0008 0.0005
Loa Loa (eye worm) glutathione reductase 0.0046 0.0039 0.0127
Loa Loa (eye worm) mbt repeat family protein 0.0046 0.004 0.013
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0038 0.0024 0.0031
Brugia malayi beta-lactamase family protein 0.0038 0.0023 0.0067
Mycobacterium ulcerans inosine 5-monophosphate dehydrogenase 0.0595 0.1145 0.4256
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.1347 0.2659 1
Echinococcus granulosus lysosomal alpha glucosidase 0.017 0.029 0.0287
Mycobacterium tuberculosis Probable oxidoreductase 0.0116 0.0181 0.0624
Loa Loa (eye worm) hypothetical protein 0.0051 0.0049 0.0163
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0094 0.0136 0.0131
Trypanosoma brucei unspecified product 0.0038 0.0024 0.009
Trypanosoma brucei DNA polymerase IV, putative 0.0038 0.0024 0.009
Echinococcus granulosus histone acetyltransferase MYST2 0.0053 0.0053 0.005
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0038 0.0023 0.0067
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.0039 0.0036
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0046 0.0039 0.0087
Onchocerca volvulus 0.0038 0.0023 0.0156
Brugia malayi GMP reductase 0.0595 0.1145 0.4295
Mycobacterium leprae conserved hypothetical protein 0.0038 0.0023 0.0027
Loa Loa (eye worm) hypothetical protein 0.0031 0.0008 0.0011
Giardia lamblia DINP protein human, muc B family 0.0038 0.0024 0.5
Mycobacterium tuberculosis Probable reductase 0.0105 0.0157 0.0535
Echinococcus multilocularis lysosomal alpha glucosidase 0.017 0.029 0.0285
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0024 0.009
Onchocerca volvulus 0.0231 0.0413 0.3575
Schistosoma mansoni hypothetical protein 0.0033 0.0013 0.0008
Trichomonas vaginalis set domain proteins, putative 0.0231 0.0413 1
Schistosoma mansoni aldehyde dehydrogenase 0.0062 0.0071 0.0066
Mycobacterium leprae Probable lipase LipE 0.0038 0.0023 0.0027
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0053 0.0053 0.0179
Onchocerca volvulus 0.0099 0.0145 0.1226
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0116 0.0181 0.0624
Echinococcus granulosus dna polymerase eta 0.0038 0.0024 0.0021
Loa Loa (eye worm) MBCTL1 0.0053 0.0053 0.0179
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0105 0.0157 0.0535
Echinococcus granulosus geminin 0.0205 0.0359 0.0356
Trypanosoma brucei glucosidase, putative 0.0038 0.0023 0.0086
Loa Loa (eye worm) hypothetical protein 0.0046 0.004 0.013
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0024 0.009
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.1347 0.2659 1
Leishmania major trypanothione reductase 0.0046 0.0039 0.0116
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB3 (IMP dehydrogenase 2) (inosinic acid dehydrogenase) (inosinate dehydrogena 0.0752 0.146 0.5466
Brugia malayi Glycosyl hydrolases family 31 protein 0.0038 0.0023 0.0066
Schistosoma mansoni cellular tumor antigen P53 0.0152 0.0252 0.0247
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0094 0.0136 0.0133
Brugia malayi ImpB/MucB/SamB family protein 0.0038 0.0024 0.007
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0094 0.0136 0.0131
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0094 0.0136 0.0131
Schistosoma mansoni microtubule-associated protein tau 0.4993 1 1
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0038 0.0024 0.0071
Echinococcus multilocularis microtubule associated protein 2 0.4993 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0024 0.009
Mycobacterium tuberculosis Conserved hypothetical protein 0.0038 0.0024 0.0031
Mycobacterium tuberculosis Probable lipase LipD 0.0038 0.0023 0.0027
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0038 0.0024 0.0004
Echinococcus multilocularis SAM and MBT domain containing protein 0.0046 0.004 0.0034
Loa Loa (eye worm) hypothetical protein 0.0038 0.0023 0.0067
Mycobacterium ulcerans DNA polymerase IV 0.0038 0.0024 0.0004
Loa Loa (eye worm) hypothetical protein 0.0038 0.0023 0.0067
Loa Loa (eye worm) beta-lactamase 0.0038 0.0023 0.0067
Brugia malayi glutathione reductase 0.0046 0.0039 0.0127
Brugia malayi MH2 domain containing protein 0.0125 0.0198 0.0726
Plasmodium falciparum glutathione reductase 0.0046 0.0039 0.0116
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0023 0.0056
Trypanosoma cruzi GMP reductase 0.1347 0.2659 1
Echinococcus granulosus neutral alpha glucosidase AB 0.0038 0.0023 0.002
Loa Loa (eye worm) hypothetical protein 0.0048 0.0044 0.0146
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0038 0.0024 0.0034
Leishmania major DNA polymerase kappa, putative 0.0038 0.0024 0.006
Brugia malayi Pre-SET motif family protein 0.0203 0.0356 0.1322
Echinococcus multilocularis tissue type plasminogen activator 0.0031 0.0008 0.0003
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.0071 0.0183
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0038 0.0023 0.0027
Schistosoma mansoni alpha-glucosidase 0.0147 0.0242 0.0237
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0038 0.0024 0.0034
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0094 0.0136 0.0131
Plasmodium vivax ataxin-2 like protein, putative 0.0051 0.0049 0.0163
Trypanosoma cruzi DNA polymerase kappa, putative 0.0038 0.0024 0.006
Onchocerca volvulus Putative GMP reductase 0.0595 0.1145 1
Brugia malayi inosine-5'-monophosphate dehydrogenase 0.0595 0.1145 0.4295
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0031 0.0008 0.0011
Trypanosoma brucei GMP reductase 0.1347 0.2659 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0062 0.0071 0.0238
Echinococcus multilocularis inosine 5' monophosphate dehydrogenase 2 0.1347 0.2659 0.2655
Leishmania major hypothetical protein, conserved 0.0038 0.0023 0.0056
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0023 0.0056
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0094 0.0136 0.0494
Toxoplasma gondii IMP dehydrogenas 0.1347 0.2659 1
Loa Loa (eye worm) inositol-1 0.0038 0.0024 0.0071
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0182 0.0314 0.0309
Mycobacterium tuberculosis Conserved protein 0.0038 0.0023 0.0027
Trypanosoma cruzi trypanothione reductase, putative 0.0046 0.0039 0.0116
Plasmodium falciparum ataxin-2 like protein, putative 0.0051 0.0049 0.0153
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0023 0.0055
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0105 0.0157 0.0535
Trypanosoma cruzi PAB1-binding protein , putative 0.0051 0.0049 0.0153
Mycobacterium tuberculosis Probable hydrolase 0.0038 0.0023 0.0027
Brugia malayi Inositol-1 0.0038 0.0024 0.0071
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0105 0.0157 0.0535
Loa Loa (eye worm) hypothetical protein 0.0038 0.0023 0.0067
Trichomonas vaginalis esterase, putative 0.0038 0.0023 0.0008
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0105 0.0157 0.0535
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0023 0.0008
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0094 0.0136 0.0133
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0182 0.0314 0.0311
Loa Loa (eye worm) hypothetical protein 0.0038 0.0024 0.007
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0116 0.0181 0.0624
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0023 0.0008
Toxoplasma gondii thioredoxin reductase 0.0046 0.0039 0.0127
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0023 0.0055
Echinococcus multilocularis inositol monophosphatase 1 0.0038 0.0024 0.0019
Toxoplasma gondii ABC1 family protein 0.0038 0.0023 0.0067
Echinococcus granulosus inositol monophosphatase 1 0.0038 0.0024 0.0021
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB2 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase 0.1347 0.2659 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.017 0.029 0.1072
Brugia malayi hypothetical protein 0.0051 0.0049 0.0163
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0094 0.0136 0.0494
Echinococcus granulosus inosine 5' monophosphate dehydrogenase 2 0.1347 0.2659 0.2656
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB3 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase 0.0752 0.146 0.5466
Trypanosoma cruzi DNA polymerase kappa, putative 0.0038 0.0024 0.006
Loa Loa (eye worm) hypothetical protein 0.0053 0.0053 0.0179
Trypanosoma cruzi DNA polymerase kappa, putative 0.0038 0.0024 0.006
Mycobacterium ulcerans DNA polymerase IV 0.0038 0.0024 0.0004
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.0039 0.0127
Schistosoma mansoni alpha-glucosidase 0.0147 0.0242 0.0237
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0038 0.0023 0.0027
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0024 0.006
Mycobacterium ulcerans inosine 5'-monophosphate dehydrogenase 0.1347 0.2659 1
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0046 0.004 0.0034
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0038 0.0024 0.0021
Plasmodium vivax inosine-5'-monophosphate dehydrogenase, putative 0.1347 0.2659 1
Loa Loa (eye worm) transcription factor SMAD2 0.0125 0.0198 0.0726
Plasmodium falciparum thioredoxin reductase 0.0046 0.0039 0.0116
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0038 0.0024 1
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0038 0.0024 0.007
Onchocerca volvulus 0.0152 0.0252 0.2167
Mycobacterium tuberculosis Conserved protein 0.0038 0.0023 0.0027
Loa Loa (eye worm) hypothetical protein 0.0038 0.0023 0.0067
Echinococcus multilocularis dna polymerase eta 0.0038 0.0024 0.0019
Schistosoma mansoni DNA polymerase eta 0.0038 0.0024 0.0019
Mycobacterium tuberculosis Probable esterase LipL 0.0038 0.0023 0.0027
Schistosoma mansoni inosine-5-monophosphate dehydrogenase 0.1347 0.2659 0.2655
Echinococcus multilocularis histone acetyltransferase MYST2 0.0053 0.0053 0.0047
Wolbachia endosymbiont of Brugia malayi IMP dehydrogenase 0.1347 0.2659 1
Plasmodium vivax glutathione reductase, putative 0.0046 0.0039 0.0127
Leishmania major alpha glucosidase II subunit, putative 0.0038 0.0023 0.0055
Leishmania major DNA polymerase eta, putative 0.0038 0.0024 0.006
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0023 0.0008
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0024 0.009
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0024 0.009
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.017 0.029 0.1072
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0038 0.0024 0.0019
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB2 (IMP dehydrogenase) (IMPDH) (IMPD) 0.1347 0.2659 1
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0038 0.0023 0.0066
Schistosoma mansoni sex comb on midleg homolog 0.0046 0.004 0.0034
Loa Loa (eye worm) hypothetical protein 0.0152 0.0252 0.0931
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0038 0.0024 0.0033
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0038 0.0023 0.0027
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0062 0.0071 0.021
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0013 0.003
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0105 0.0157 0.0535
Brugia malayi inosine-5'-monophosphate dehydrogenase 0.0595 0.1145 0.4295
Schistosoma mansoni terminal deoxycytidyl transferase 0.0038 0.0024 0.0019
Loa Loa (eye worm) GMP reductase 0.0595 0.1145 0.4295
Trichomonas vaginalis DNA polymerase eta, putative 0.0038 0.0024 0.0033
Brugia malayi beta-lactamase 0.0038 0.0023 0.0067
Echinococcus granulosus SAM and MBT domain containing protein 0.0046 0.004 0.0037
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0787 0.1531 0.1527
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.0039 0.0034
Schistosoma mansoni inositol monophosphatase 0.0038 0.0024 0.0019
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0053 0.0053 0.0047
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0024 0.006
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0024 0.009
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0062 0.0071 0.0066
Echinococcus multilocularis polycomb protein SCMH1 0.0046 0.004 0.0034
Schistosoma mansoni hypothetical protein 0.0205 0.0359 0.0353
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.0071 0.0183
Loa Loa (eye worm) TK/ROR protein kinase 0.0031 0.0008 0.0011
Loa Loa (eye worm) MH2 domain-containing protein 0.0125 0.0198 0.0726
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0024 0.009
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0024 0.009
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0038 0.0024 0.0019
Onchocerca volvulus 0.0038 0.0023 0.0156
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0038 0.0023 0.0067
Schistosoma mansoni hypothetical protein 0.0281 0.0513 0.0508
Schistosoma mansoni hypothetical protein 0.0031 0.0008 0.0003
Toxoplasma gondii LsmAD domain-containing protein 0.0051 0.0049 0.0163
Loa Loa (eye worm) hypothetical protein 0.0038 0.0023 0.0067
Toxoplasma gondii aldehyde dehydrogenase 0.0062 0.0071 0.0249
Brugia malayi mbt repeat family protein 0.0046 0.004 0.013
Echinococcus multilocularis neutral alpha glucosidase AB 0.0038 0.0023 0.0017
Brugia malayi ImpB/MucB/SamB family protein 0.0038 0.0024 0.007
Echinococcus granulosus beta LACTamase domain containing family member 0.0038 0.0023 0.002
Loa Loa (eye worm) IMP dehydrogenase 1 0.1347 0.2659 1
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.1347 0.2659 1
Trypanosoma brucei trypanothione reductase 0.0046 0.0039 0.0147
Brugia malayi beta-lactamase family protein 0.0038 0.0023 0.0067
Trypanosoma brucei hypothetical protein, conserved 0.0038 0.0023 0.0087
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.0044 0.0146
Schistosoma mansoni hypothetical protein 0.0205 0.0359 0.0353
Schistosoma mansoni myelin transcription factor 1 myt1 0.0053 0.0053 0.0047
Echinococcus multilocularis tumor protein p63 0.1037 0.2035 0.2031
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0005 0.0002
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0243 0.0435 0.1586
Leishmania major guanosine monophosphate reductase 0.1347 0.2659 1
Leishmania major hypothetical protein, conserved 0.0051 0.0049 0.0153
Schistosoma mansoni sex comb on midleg homolog 0.0046 0.004 0.0034
Plasmodium falciparum inosine-5'-monophosphate dehydrogenase 0.1347 0.2659 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0038 0.0023 0.0066
Brugia malayi inosine-5'-monophosphate dehydrogenase family protein 0.1347 0.2659 1
Trypanosoma cruzi GMP reductase 0.1347 0.2659 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0023 0.0018
Brugia malayi hypothetical protein 0.0033 0.0013 0.0027
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0024 0.006
Brugia malayi Kringle domain containing protein 0.0031 0.0008 0.0011
Echinococcus granulosus polycomb protein SCMH1 0.0046 0.004 0.0037
Echinococcus granulosus tumor protein p63 0.1037 0.2035 0.2032
Entamoeba histolytica deoxycytidyl transferase, putative 0.0038 0.0024 0.9853
Trypanosoma brucei inosine-5'-monophosphate dehydrogenase 0.1347 0.2659 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0062 0.0071 0.0068
Echinococcus multilocularis lysosomal alpha glucosidase 0.017 0.029 0.0285
Trypanosoma cruzi PAB1-binding protein , putative 0.0051 0.0049 0.0153
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0225 0.0399 0.1484
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.0071 0.0183
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0116 0.0181 0.0624
Echinococcus granulosus dna polymerase kappa 0.0038 0.0024 0.0021
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0024 0.009
Brugia malayi Thioredoxin reductase 0.0046 0.0039 0.0127
Echinococcus multilocularis beta LACTamase domain containing family member 0.0038 0.0023 0.0018
Brugia malayi Protein kinase domain containing protein 0.0031 0.0008 0.0011
Echinococcus multilocularis dna polymerase kappa 0.0038 0.0024 0.0019
Trypanosoma brucei DNA polymerase IV, putative 0.0038 0.0024 0.009
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0024 0.009
Mycobacterium tuberculosis Conserved protein 0.0038 0.0023 0.0027
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.0039 0.0127
Trypanosoma cruzi DNA polymerase kappa, putative 0.0038 0.0024 0.006
Leishmania major inosine-5-monophosphate dehydrogenase 0.1347 0.2659 1
Brugia malayi mbt repeat family protein 0.0046 0.004 0.013
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0023 0.0018
Onchocerca volvulus 0.0046 0.004 0.0303
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0094 0.0136 0.0131
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.0044 0.0146
Mycobacterium tuberculosis Probable lipase LipE 0.0038 0.0023 0.0027
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0203 0.0356 0.1322
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0023 0.0008
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0024 0.009
Trypanosoma brucei PAB1-binding protein , putative 0.0051 0.0049 0.0183
Onchocerca volvulus 0.0038 0.0023 0.0156
Plasmodium falciparum ataxin-2 like protein, putative 0.0051 0.0049 0.0153
Mycobacterium tuberculosis Probable dehydrogenase 0.0105 0.0157 0.0535
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0046 0.004 0.0303
Echinococcus multilocularis geminin 0.0205 0.0359 0.0353
Schistosoma mansoni inositol monophosphatase 0.0038 0.0024 0.0019
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0023 0.0008
Loa Loa (eye worm) hypothetical protein 0.0033 0.0013 0.003
Trypanosoma brucei DNA polymerase IV, putative 0.0038 0.0024 0.009
Onchocerca volvulus 0.0031 0.0008 0.0025
Mycobacterium leprae PROBABLE INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE GUAB1(IMP DEHYDROGENASE) (IMPDH) (IMPD) 0.0595 0.1145 0.4272
Trichomonas vaginalis inositol monophosphatase, putative 0.0038 0.0024 0.0034
Trypanosoma cruzi DNA polymerase eta, putative 0.0038 0.0024 0.006
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0053 0.0053 0.005
Mycobacterium ulcerans inosine 5-monophosphate dehydrogenase 0.1347 0.2659 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.0891 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.206 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) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Assay for Rab9 Promoter Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.3753 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) 20.5962 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) 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 (functional) 63.0957 uM PUBCHEM_BIOASSAY: Inhibitors of TCP-1 ring complex (TRiC) of Methanococcus maripaludis (MmCpn): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488991] 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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