Detailed information for compound 800254

Basic information

Technical information
  • TDR Targets ID: 800254
  • Name: 2-[(4,6-dimethylpyrimidin-2-yl)amino]benzoic acid
  • MW: 243.261 | Formula: C13H13N3O2
  • H donors: 2 H acceptors: 4 LogP: 2.96 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cc(C)nc(n1)Nc1ccccc1C(=O)O
  • InChi: 1S/C13H13N3O2/c1-8-7-9(2)15-13(14-8)16-11-6-4-3-5-10(11)12(17)18/h3-7H,1-2H3,(H,17,18)(H,14,15,16)
  • InChiKey: ZVKKVDGNHFQSNX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[(4,6-dimethyl-2-pyrimidinyl)amino]benzoic acid
  • Oprea1_347058
  • Oprea1_262405
  • A2238/0094204
  • IDI1_003941
  • UNM000011039501
  • ChemDiv2_005226
  • 2-(4,6-Dimethyl-pyrimidin-2-ylamino)-benzoic acid
  • BAS 01117816
  • Peakdale1_000451

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis CAMK family protein kinase 0.0046 0.0921 0.2711
Entamoeba histolytica hypothetical protein 0.0035 0.0581 0.1699
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0095 0.2504 0.2247
Onchocerca volvulus Serine\/threonine kinase homolog 0.0093 0.2425 0.9658
Brugia malayi MH2 domain containing protein 0.0115 0.3151 0.741
Loa Loa (eye worm) PHD-finger family protein 0.0029 0.0366 0.0873
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0095 0.2504 0.2247
Entamoeba histolytica hypothetical protein 0.0035 0.0581 0.1699
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0095 0.2504 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0095 0.2504 0.5792
Echinococcus multilocularis lysine specific demethylase 5A 0.0035 0.0559 0.0235
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1444 0.115
Schistosoma mansoni hypothetical protein 0.01 0.2643 0.2391
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0094 0.2457 0.2198
Trypanosoma brucei polo-like protein kinase 0.0093 0.2425 0.9652
Trichomonas vaginalis aldo/keto reductase, putative 0.0095 0.2504 1
Echinococcus granulosus aldo keto reductase 0.0095 0.2504 0.2247
Trypanosoma brucei prostaglandin f synthase 0.0095 0.2504 1
Echinococcus granulosus aldo keto reductase 0.0095 0.2504 0.2247
Brugia malayi RNA binding protein 0.0062 0.1444 0.3142
Brugia malayi Muscleblind-like protein 0.0148 0.4187 1
Loa Loa (eye worm) oxidoreductase 0.0095 0.2504 0.598
Loa Loa (eye worm) oxidoreductase 0.0095 0.2504 0.598
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.0095 0.2504 1
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0093 0.2425 0.2165
Schistosoma mansoni hypothetical protein 0.0035 0.0581 0.0257
Loa Loa (eye worm) hypothetical protein 0.0024 0.0229 0.0546
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0095 0.2504 0.2247
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0095 0.2504 0.2247
Loa Loa (eye worm) hypothetical protein 0.0046 0.0926 0.2212
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.0187 0.0748
Loa Loa (eye worm) jmjC domain-containing protein 0.0059 0.1345 0.3211
Leishmania major aldo/keto reductase, putative,aldo/keto reductase family-like protein 0.0028 0.0332 0.0625
Echinococcus granulosus muscleblind protein 0.0148 0.4187 0.3988
Loa Loa (eye worm) hypothetical protein 0.0023 0.0187 0.0447
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.0187 0.0748
Plasmodium vivax ataxin-2 like protein, putative 0.0024 0.0229 0.6252
Entamoeba histolytica alcohol dehydrogenase, putative 0.0028 0.0332 0.0625
Onchocerca volvulus 0.0095 0.2504 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0095 0.2504 1
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0093 0.2425 0.5791
Echinococcus granulosus aldo keto reductase 0.0095 0.2504 0.2247
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0559 0.0235
Schistosoma mansoni hypothetical protein 0.0029 0.0366 0.0035
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0093 0.2425 0.9658
Echinococcus granulosus tar DNA binding protein 0.0062 0.1444 0.115
Trichomonas vaginalis aldo-keto reductase, putative 0.0095 0.2504 1
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.2425 0.9636
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0095 0.2504 0.2247
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1444 0.115
Trichomonas vaginalis aldo-keto reductase, putative 0.0095 0.2504 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0095 0.2504 0.2247
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0095 0.2504 1
Plasmodium vivax hypothetical protein, conserved 0.0029 0.0366 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0095 0.2504 0.2247
Brugia malayi Bromodomain containing protein 0.0029 0.0366 0.0446
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.0095 0.2504 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0046 0.0926 0.0614
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0095 0.2504 0.5792
Loa Loa (eye worm) oxidoreductase 0.0095 0.2504 0.598
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0095 0.2504 0.2247
Brugia malayi jmjC domain containing protein 0.0094 0.2457 0.5675
Schistosoma mansoni jumonji domain containing protein 0.0074 0.1839 0.1558
Onchocerca volvulus 0.0095 0.2504 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1444 0.115
Trichomonas vaginalis aldo-keto reductase, putative 0.0095 0.2504 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0095 0.2504 1
Trypanosoma cruzi aldo/keto reductase, putative 0.0095 0.2504 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.0187 0.0748
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0093 0.2425 0.2165
Loa Loa (eye worm) MH2 domain-containing protein 0.0115 0.3151 0.7526
Loa Loa (eye worm) glutamate-cysteine ligase modifier subunit 0.0028 0.0332 0.0793
Loa Loa (eye worm) RNA binding protein 0.0062 0.1444 0.3448
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0187 0.0748
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0046 0.0926 0.0614
Trichomonas vaginalis aldo-keto reductase, putative 0.0095 0.2504 1
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.2425 0.9636
Mycobacterium leprae Conserved hypothetical protein 0.0068 0.1619 0.6177
Schistosoma mansoni pol-related 0.0095 0.2504 0.2247
Loa Loa (eye worm) jmjC domain-containing protein 0.0035 0.0559 0.1335
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0095 0.2504 0.2247
Echinococcus multilocularis aldo keto reductase 0.0095 0.2504 0.2247
Brugia malayi PHD-finger family protein 0.0029 0.0366 0.0446
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0095 0.2504 1
Echinococcus multilocularis aldo keto reductase 0.0095 0.2504 0.2247
Echinococcus multilocularis GPCR, family 2 0.0046 0.0926 0.0614
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.0187 0.0748
Loa Loa (eye worm) hypothetical protein 0.0029 0.0366 0.0873
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0046 0.0926 0.0614
Loa Loa (eye worm) hypothetical protein 0.0148 0.4187 1
Echinococcus multilocularis peregrin 0.0029 0.0366 0.0035
Onchocerca volvulus Alhambra homolog 0.0029 0.0366 0.077
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0046 0.0926 0.0614
Leishmania major prostaglandin f synthase, putative 0.0095 0.2504 1
Leishmania major aldo-keto reductase-like protein 0.0095 0.2504 1
Echinococcus multilocularis muscleblind protein 0.0148 0.4187 0.3988
Trichomonas vaginalis aldo/keto reductase, putative 0.0095 0.2504 1
Entamoeba histolytica hypothetical protein 0.0035 0.0581 0.1699
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0095 0.2504 0.2247
Brugia malayi glutamate-cysteine ligase modifier subunit 0.0028 0.0332 0.0362
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0095 0.2504 1
Entamoeba histolytica aldose reductase, putative 0.0095 0.2504 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0187 0.0447
Trichomonas vaginalis aldo-keto reductase, putative 0.0095 0.2504 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0046 0.0926 0.2212
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0146 0.4123 0.9839
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0046 0.0926 0.1847
Toxoplasma gondii aldo-keto reductase 0.0028 0.0332 0.0455
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0095 0.2504 0.2247
Echinococcus granulosus lysine specific demethylase 5A 0.0035 0.0559 0.0235
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0095 0.2504 0.2247
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.1444 0.3448
Schistosoma mansoni aldo-keto reductase 0.0095 0.2504 0.2247
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0095 0.2504 0.2247
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0029 0.0366 0.0035
Trichomonas vaginalis aldo-keto reductase, putative 0.0095 0.2504 1
Brugia malayi Latrophilin receptor protein 2 0.0046 0.0926 0.1847
Plasmodium vivax oxidoreductase, aldo/keto reductase domain containing protein 0.0028 0.0332 0.9081
Loa Loa (eye worm) hypothetical protein 0.0146 0.4123 0.9847
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.2425 0.9636
Onchocerca volvulus 0.0028 0.0332 0.0625
Plasmodium falciparum aldo-keto reductase, putative 0.0028 0.0332 0.9081
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0229 0.6252
Toxoplasma gondii oxidoreductase, aldo/keto reductase family protein 0.0028 0.0332 0.0455
Schistosoma mansoni hypothetical protein 0.0046 0.0926 0.0614
Loa Loa (eye worm) hypothetical protein 0.0023 0.0187 0.0447
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0229 0.6252
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0581 0.0257
Loa Loa (eye worm) oxidoreductase 0.0095 0.2504 0.598
Echinococcus granulosus peregrin 0.0029 0.0366 0.0035
Mycobacterium tuberculosis Probable oxidoreductase 0.0095 0.2504 1
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0581 0.0257
Brugia malayi TAR-binding protein 0.0062 0.1444 0.3142
Plasmodium vivax aldehyde reductase, putative 0.0028 0.0332 0.9081
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0095 0.2504 0.2247
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0094 0.2457 0.2198
Loa Loa (eye worm) hypothetical protein 0.0049 0.1023 0.2442
Leishmania major hypothetical protein, conserved 0.0024 0.0229 0.0179
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0187 0.0748
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0095 0.2504 0.2247
Echinococcus granulosus GPCR family 2 0.0046 0.0926 0.0614
Brugia malayi hypothetical protein 0.0035 0.0581 0.0984
Loa Loa (eye worm) oxidoreductase 0.0095 0.2504 0.598
Brugia malayi serine/threonine-protein kinase plk-2 0.0093 0.2425 0.5594
Toxoplasma gondii aldo/keto reductase family oxidoreductase 0.0028 0.0332 0.0455
Schistosoma mansoni aldo-keto reductase 0.0095 0.2504 0.2247
Schistosoma mansoni hypothetical protein 0.0329 1 1
Giardia lamblia Aldose reductase 0.0095 0.2504 1
Entamoeba histolytica aldose reductase, putative 0.0095 0.2504 1
Entamoeba histolytica serine/threonine protein kinase, putative 0.0093 0.2425 0.9658
Echinococcus multilocularis geminin 0.0329 1 1
Trypanosoma cruzi aldo/keto reductase, putative 0.0028 0.0332 0.0455
Onchocerca volvulus 0.0095 0.2504 1
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.0187 0.0748
Echinococcus granulosus aldehyde reductase 0.0068 0.1619 0.1331
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1444 0.115
Schistosoma mansoni hypothetical protein 0.0329 1 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0581 0.0257
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0095 0.2504 0.2247
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.2425 0.9636
Giardia lamblia Kinase, PLK 0.0093 0.2425 0.963
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0095 0.2504 0.2247
Entamoeba histolytica alcohol dehydrogenase, putative 0.0028 0.0332 0.0625
Loa Loa (eye worm) TAR-binding protein 0.0062 0.1444 0.3448
Brugia malayi NADH-dependent xylose reductase 0.0028 0.0332 0.0362
Schistosoma mansoni kinase 0.0047 0.096 0.065
Entamoeba histolytica aldose reductase, putative 0.0095 0.2504 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.0187 0.0748
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.1444 0.3142
Mycobacterium tuberculosis Conserved protein 0.0028 0.0332 0.1326
Toxoplasma gondii aldose reductase, putative 0.0095 0.2504 1
Echinococcus granulosus jumonji domain containing protein 0.004 0.0726 0.0407
Trichomonas vaginalis aldo-keto reductase, putative 0.0095 0.2504 1
Trichomonas vaginalis aldo/keto reductase, putative 0.0095 0.2504 1
Echinococcus multilocularis aldo keto reductase 0.0095 0.2504 0.2247
Echinococcus multilocularis muscleblind protein 1 0.0148 0.4187 0.3988
Loa Loa (eye worm) transcription factor SMAD2 0.0115 0.3151 0.7526
Trypanosoma cruzi polo-like protein kinase, putative 0.0093 0.2425 0.9652
Trichomonas vaginalis aldo-keto reductase, putative 0.0095 0.2504 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0187 0.0748
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.2425 0.9636
Trypanosoma cruzi aldo-keto reductase 0.0095 0.2504 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0095 0.2504 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0146 0.4123 0.9847
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0017 0 0.5
Mycobacterium ulcerans hypothetical protein 0.0028 0.0332 0.1326
Entamoeba histolytica hypothetical protein 0.0035 0.0581 0.1699
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.2425 0.9636
Brugia malayi jmjC domain containing protein 0.0035 0.0559 0.093
Loa Loa (eye worm) hypothetical protein 0.0148 0.4187 1
Trypanosoma brucei aldo/keto reductase, putative 0.0028 0.0332 0.0455
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0366 0.0602
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0095 0.2504 0.2247
Schistosoma mansoni hypothetical protein 0.0046 0.0926 0.0614
Onchocerca volvulus 0.0095 0.2504 1
Onchocerca volvulus 0.0095 0.2504 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0559 0.0235
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1444 0.115
Giardia lamblia Aldose reductase 0.0095 0.2504 1
Echinococcus granulosus hypothetical protein 0.0095 0.2504 0.2247
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0366 0.0602
Trichomonas vaginalis CAMK family protein kinase 0.0046 0.0921 0.2711
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.2425 0.9636
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0095 0.2504 0.2247
Schistosoma mansoni serine/threonine protein kinase 0.0093 0.2425 0.2165
Trypanosoma brucei aldo-keto reductase, putative 0.0095 0.2504 1
Mycobacterium leprae Possible oxidoreductase 0.0028 0.0332 0.0625
Echinococcus multilocularis tar DNA binding protein 0.0062 0.1444 0.115
Schistosoma mansoni hypothetical protein 0.0046 0.0926 0.0614
Brugia malayi latrophilin 2 splice variant baaae 0.01 0.2643 0.614
Echinococcus multilocularis jumonji domain containing protein 0.004 0.0726 0.0407
Plasmodium falciparum phd finger protein, putative 0.0029 0.0366 1
Loa Loa (eye worm) hypothetical protein 0.0095 0.2504 0.598
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0095 0.2504 0.2247
Loa Loa (eye worm) hypothetical protein 0.01 0.2643 0.6313
Echinococcus multilocularis aldo keto reductase 0.0095 0.2504 0.2247
Echinococcus multilocularis PHD finger protein rhinoceros 0.0029 0.0366 0.0035
Plasmodium falciparum aldehyde reductase, putative 0.0028 0.0332 0.9081
Mycobacterium ulcerans hypothetical protein 0.0023 0.0187 0.0748
Brugia malayi hypothetical protein 0.0024 0.0229 0.0103
Brugia malayi Calcitonin receptor-like protein seb-1 0.0146 0.4123 0.9839
Schistosoma mansoni hypothetical protein 0.0046 0.0926 0.0614
Echinococcus multilocularis aldehyde reductase 0.0068 0.1619 0.1331
Echinococcus granulosus PHD finger protein rhinoceros 0.0029 0.0366 0.0035
Trichomonas vaginalis aldo-keto reductase, putative 0.0095 0.2504 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0095 0.2504 0.5792
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0095 0.2504 0.5792
Trypanosoma cruzi polo-like protein kinase, putative 0.0093 0.2425 0.9652
Onchocerca volvulus 0.0095 0.2504 1
Mycobacterium ulcerans oxidoreductase 0.0095 0.2504 1

Activities

No activities found for this compound.

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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