Detailed information for compound 1649033

Basic information

Technical information
  • TDR Targets ID: 1649033
  • Name: 1-((Benzyloxy)methyl)-5-(2-toluidino)-2,4(1H, 3H)-pyrimidinedione
  • MW: 337.372 | Formula: C19H19N3O3
  • H donors: 2 H acceptors: 2 LogP: 2.77 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccccc1Nc1cn(COCc2ccccc2)c(=O)[nH]c1=O
  • InChi: 1S/C19H19N3O3/c1-14-7-5-6-10-16(14)20-17-11-22(19(24)21-18(17)23)13-25-12-15-8-3-2-4-9-15/h2-11,20H,12-13H2,1H3,(H,21,23,24)
  • InChiKey: HHGQTVYUGUXXBU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-(benzyloxymethyl)-5-[(2-methylphenyl)amino]pyrimidine-2,4-quinone
  • 1-(Benzyloxymethyl)-5-(2-methylphenylamino)uracil
  • 5-[(2-methylphenyl)amino]-1-(phenylmethoxymethyl)pyrimidine-2,4-dione
  • AIDS-153167
  • AIDS153167
  • NCI60_035545
  • NSC699238

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
Loa Loa (eye worm) TOPoisomerase family member 0.0138 0.181 0.7222
Onchocerca volvulus 0.002 0.0047 0.0352
Toxoplasma gondii DNA topoisomerase I, putative 0.0185 0.2504 1
Echinococcus granulosus DNA topoisomerase 1 0.0185 0.2504 0.2499
Chlamydia trachomatis DNA gyrase subunit B 0.0064 0.0701 0.6674
Trichomonas vaginalis DNA topoisomerase II, putative 0.0138 0.181 0.4414
Wolbachia endosymbiont of Brugia malayi DNA gyrase, topoisomerase II, B subunit, GyrB 0.0081 0.0953 1
Schistosoma mansoni DNA topoisomerase type I 0.0185 0.2504 0.2499
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0021 0.0067 0.0322
Brugia malayi DNA topoisomerase I 0.0185 0.2504 1
Echinococcus multilocularis DNA topoisomerase 2 alpha 0.0138 0.181 0.1805
Brugia malayi DNA topoisomerase II, alpha isozyme 0.0138 0.181 0.7222
Plasmodium vivax DNA gyrase subunit B, putative 0.0081 0.0953 0.3688
Echinococcus granulosus lipoxygenase domain containing protein 0.002 0.0047 0.004
Echinococcus multilocularis microtubule associated protein 2 0.0689 1 1
Loa Loa (eye worm) hypothetical protein 0.0094 0.1146 0.456
Plasmodium vivax DNA gyrase subunit A, putative 0.003 0.0196 0.0609
Schistosoma mansoni rab6-interacting 0.002 0.0047 0.004
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0292 0.4093 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0031 0.0215 0.086
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0364 0.1452
Loa Loa (eye worm) hypothetical protein 0.0094 0.1146 0.456
Treponema pallidum DNA gyrase, subunit B (gyrB) 0.0081 0.0953 0.1942
Mycobacterium tuberculosis DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) 0.0081 0.0953 0.5069
Plasmodium falciparum DNA gyrase subunit B 0.0081 0.0953 0.3688
Echinococcus granulosus dna polymerase kappa 0.0041 0.0364 0.0357
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0364 0.1452
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0364 0.1452
Loa Loa (eye worm) hypothetical protein 0.002 0.0047 0.016
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.0655 0.0649
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0061 0.0655 0.0649
Trypanosoma brucei DNA topoisomerase ii 0.0155 0.2062 0.8235
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0364 0.1452
Echinococcus granulosus mitogen activated protein kinase 0.0051 0.051 0.0504
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0057 0.0606 0.3208
Trypanosoma brucei DNA topoisomerase IB, large subunit 0.0185 0.2504 1
Trypanosoma brucei DNA polymerase IV, putative 0.0041 0.0364 0.1452
Trypanosoma brucei DNA polymerase IV, putative 0.0041 0.0364 0.1452
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0061 0.0655 0.0649
Echinococcus multilocularis mitogen activated protein kinase 0.0051 0.051 0.0504
Toxoplasma gondii DNA topoisomerase 2, putative 0.0138 0.181 0.6994
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.051 0.1233
Mycobacterium ulcerans DNA gyrase subunit B 0.0081 0.0953 0.5069
Loa Loa (eye worm) hypothetical protein 0.0056 0.059 0.2337
Giardia lamblia Fructose-bisphosphate aldolase 0.0292 0.4093 1
Echinococcus granulosus DNA topoisomerase 2 alpha 0.0138 0.181 0.1805
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0143 0.1874 1
Plasmodium vivax DNA topoisomerase II, putative 0.0138 0.181 0.7177
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0292 0.4093 1
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0143 0.1874 1
Schistosoma mansoni DNA topoisomerase type I 0.0185 0.2504 0.2499
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0055 0.0574 0.0567
Leishmania major mitochondrial DNA topoisomerase II 0.0155 0.2062 0.8186
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0057 0.0606 0.0599
Echinococcus granulosus lipoxygenase domain containing protein 0.002 0.0047 0.004
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0094 0.1144 1
Echinococcus multilocularis dna polymerase kappa 0.0041 0.0364 0.0357
Echinococcus multilocularis lipoxygenase domain containing protein 0.002 0.0047 0.004
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0292 0.4093 1
Chlamydia trachomatis DNA gyrase subunit B 0.0081 0.0953 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0036 0.012
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0292 0.4093 1
Schistosoma mansoni microtubule-associated protein tau 0.0689 1 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0036 0.012
Echinococcus granulosus X box binding protein 1 0.0291 0.4084 0.408
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.051 0.1233
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0292 0.4093 1
Mycobacterium ulcerans DNA polymerase IV 0.0041 0.0364 0.1912
Trypanosoma brucei DNA polymerase kappa, putative 0.0031 0.0215 0.086
Trypanosoma brucei protein kinase, putative 0.0051 0.051 0.2038
Schistosoma mansoni DNA topoisomerase type I 0.0185 0.2504 0.2499
Trypanosoma cruzi DNA topoisomerase II, putative 0.0131 0.1699 0.624
Brugia malayi hypothetical protein 0.002 0.0047 0.016
Loa Loa (eye worm) doublecortin family protein 0.002 0.0047 0.016
Mycobacterium ulcerans DNA polymerase IV 0.0041 0.0364 0.1912
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0041 0.0364 0.0873
Giardia lamblia DNA topoisomerase II 0.0131 0.1703 0.4064
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0057 0.0606 0.3208
Trypanosoma brucei DNA polymerase IV, putative 0.0034 0.0266 0.1061
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0055 0.0574 0.0567
Schistosoma mansoni polycystin 1-related 0.002 0.0047 0.004
Loa Loa (eye worm) DNA topoisomerase I 0.0185 0.2504 1
Plasmodium vivax topoisomerase I, putative 0.0185 0.2504 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0036 0.012
Echinococcus multilocularis DNA topoisomerase 1 0.0185 0.2504 0.2499
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0292 0.4093 1
Brugia malayi polk-prov protein 0.0031 0.0215 0.0836
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0364 0.1452
Schistosoma mansoni rab6-interacting 0.002 0.0047 0.004
Trypanosoma brucei unspecified product 0.0034 0.0266 0.1061
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0292 0.4093 1
Echinococcus granulosus mitogen activated protein kinase 3 0.0051 0.051 0.0504
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0364 0.1452
Echinococcus granulosus Polycystic kidney disease protein 0.002 0.0047 0.004
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0061 0.0655 0.3475
Echinococcus multilocularis lipoxygenase domain containing protein 0.002 0.0047 0.004
Leishmania major DNA topoisomerase IB, large subunit 0.0185 0.2504 1
Trypanosoma cruzi DNA topoisomerase II, putative 0.0131 0.1699 0.624
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0057 0.0606 0.2398
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0364 0.1452
Brugia malayi Probable DNA topoisomerase II 0.0138 0.181 0.7222
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0051 0.051 0.0686
Schistosoma mansoni loxhd1 0.002 0.0047 0.004
Echinococcus granulosus RUN 0.002 0.0047 0.004
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0057 0.0606 0.0599
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0051 0.051 0.0686
Schistosoma mansoni DNA topoisomerase II 0.0138 0.181 0.1805
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0051 0.051 0.2017
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0364 0.1452
Treponema pallidum fructose-bisphosphate aldolase 0.0292 0.4093 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0364 0.1452
Schistosoma mansoni serine/threonine protein kinase 0.0051 0.051 0.0504
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0051 0.051 0.2038
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0292 0.4093 1
Trypanosoma cruzi DNA topoisomerase IB, large subunit, putative 0.0185 0.2504 1
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0155 0.2062 0.7935
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.051 0.1233
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0081 0.0953 0.3279
Loa Loa (eye worm) hypothetical protein 0.0056 0.059 0.2337
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0292 0.4093 1
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0051 0.051 0.1361
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0057 0.0606 0.0599
Brugia malayi MAP kinase sur-1 0.0051 0.051 0.2017
Brugia malayi Doublecortin family protein 0.002 0.0047 0.016
Onchocerca volvulus Putative DNA topoisomerase 2, mitochondrial 0.0094 0.1144 1
Schistosoma mansoni hypothetical protein 0.002 0.0047 0.004
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.0655 0.0649
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0143 0.1874 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0047 0.016
Schistosoma mansoni lipoxygenase 0.0055 0.0574 0.0567
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0655 0.3475
Mycobacterium tuberculosis DNA gyrase (subunit A) GyrA (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) 0.003 0.0196 0.1015
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0051 0.051 0.182
Plasmodium falciparum DNA gyrase subunit A 0.003 0.0196 0.0609
Trichomonas vaginalis DNA polymerase eta, putative 0.0041 0.0364 0.0873
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0061 0.0655 0.2415
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0655 0.3475
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0094 0.1144 1
Brugia malayi hypothetical protein 0.002 0.0047 0.016
Plasmodium falciparum topoisomerase I 0.0185 0.2504 1
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.051 0.1233
Trypanosoma brucei DNA topoisomerase II alpha, putative 0.0131 0.1699 0.6786
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0051 0.051 0.182
Echinococcus multilocularis X box binding protein 1 0.0291 0.4084 0.408
Loa Loa (eye worm) hypothetical protein 0.0031 0.0215 0.0836
Leishmania major DNA topoisomerase ii 0.0131 0.1699 0.6698
Schistosoma mansoni lipoxygenase 0.002 0.0047 0.004
Echinococcus multilocularis mitogen activated protein kinase 3 0.0051 0.051 0.0504
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0292 0.4093 1
Schistosoma mansoni hypothetical protein 0.0291 0.4084 0.408
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0051 0.051 0.0686
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0655 0.3475
Trypanosoma brucei DNA topoisomerase II beta, putative 0.0131 0.1699 0.6786
Plasmodium falciparum DNA topoisomerase 2 0.0138 0.181 0.7177
Mycobacterium ulcerans DNA gyrase subunit A 0.003 0.0196 0.1015
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0051 0.051 0.0686
Onchocerca volvulus 0.002 0.0047 0.0352
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0155 0.2062 0.7935
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0057 0.0606 0.3208
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0067 0.0266
Brugia malayi DNA gyrase/topoisomerase IV, A subunit family protein 0.0138 0.181 0.7222
Toxoplasma gondii aldehyde dehydrogenase 0.0061 0.0655 0.199
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0053 0.0548 0.2169
Echinococcus multilocularis Polycystic kidney disease protein 0.002 0.0047 0.004
Echinococcus multilocularis RUN 0.002 0.0047 0.004
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0057 0.0606 0.2211
Giardia lamblia Kinase, CMGC MAPK 0.0051 0.051 0.1102

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4.281 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.26 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.248 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.095 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference

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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