Detailed information for compound 1574395

Basic information

Technical information
  • TDR Targets ID: 1574395
  • Name: N-[(4-methoxy-6-methylpyrimidin-2-yl)carbamot hioyl]-N-methylbenzamide
  • MW: 316.378 | Formula: C15H16N4O2S
  • H donors: 1 H acceptors: 3 LogP: 3.02 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1nc(nc(c1)C)NC(=S)N(C(=O)c1ccccc1)C
  • InChi: 1S/C15H16N4O2S/c1-10-9-12(21-3)17-14(16-10)18-15(22)19(2)13(20)11-7-5-4-6-8-11/h4-9H,1-3H3,(H,16,17,18,22)
  • InChiKey: FDZKCQSEXXLYPM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[(4-methoxy-6-methyl-pyrimidin-2-yl)carbamothioyl]-N-methyl-benzamide
  • N-[[(4-methoxy-6-methyl-2-pyrimidinyl)amino]-thioxomethyl]-N-methylbenzamide
  • N-[(4-methoxy-6-methyl-pyrimidin-2-yl)thiocarbamoyl]-N-methyl-benzamide
  • STOCK2S-84858
  • 1-Benzoyl-3-(4-methoxy-6-methyl-pyrimidin-2-yl)-1-methyl-thiourea
  • MLS000768688
  • SMR000432007
  • ZINC00520157

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
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0034 0.0039 0.0038
Echinococcus granulosus lamin dm0 0.0058 0.0176 0.03
Echinococcus multilocularis geminin 0.0196 0.0982 0.0981
Loa Loa (eye worm) hypothetical protein 0.0055 0.0157 0.1087
Loa Loa (eye worm) inositol-1 0.008 0.0305 0.2122
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0093 0.038 0.0651
Loa Loa (eye worm) hypothetical protein 0.0042 0.0081 0.0558
Brugia malayi Latrophilin receptor protein 2 0.0034 0.0039 0.014
Echinococcus multilocularis thymidine kinase 0.1026 0.5826 0.5826
Brugia malayi hypothetical protein 0.0055 0.0157 0.0974
Schistosoma mansoni ap endonuclease 0.006 0.0191 0.0262
Echinococcus granulosus geminin 0.0196 0.0982 0.1684
Echinococcus multilocularis thymidine kinase 0.1026 0.5826 0.5826
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0072 0.0256 0.164
Mycobacterium tuberculosis Thymidylate kinase Tmk (dTMP kinase) (thymidylic acid kinase) (TMPK) 0.0225 0.115 0.8157
Brugia malayi beta-lactamase family protein 0.0042 0.0081 0.0438
Onchocerca volvulus 0.0056 0.0164 0.0773
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0266 0.1391 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0109 0.0473 0.329
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0072 0.0256 0.1338
Brugia malayi intermediate filament protein 0.0058 0.0176 0.1109
Schistosoma mansoni hypothetical protein 0.0196 0.0982 0.163
Treponema pallidum thymidylate kinase (tmk) 0.0225 0.115 1
Brugia malayi beta-lactamase 0.0042 0.0081 0.0438
Trichomonas vaginalis thymidine kinase, putative 0.0784 0.4415 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0034 0.0039 0.014
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.006 0.0191 0.1322
Leishmania major thymidine kinase, putative 0.0784 0.4415 1
Mycobacterium ulcerans thymidylate kinase 0.0225 0.115 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.008 0.0305 0.0517
Schistosoma mansoni hypothetical protein 0.0225 0.115 0.1919
Leishmania major thymidylate kinase-like protein 0.0225 0.115 0.2465
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0064 0.0211 0.036
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.006 0.0191 0.0325
Echinococcus granulosus beta LACTamase domain containing family member 0.0042 0.0081 0.0137
Schistosoma mansoni ap endonuclease 0.006 0.0191 0.0262
Loa Loa (eye worm) hypothetical protein 0.0042 0.0081 0.0558
Giardia lamblia CDC8 0.0225 0.115 0.227
Schistosoma mansoni hypothetical protein 0.0226 0.1159 0.1935
Echinococcus multilocularis transfer RNA-Ile 0.1026 0.5826 0.5826
Echinococcus granulosus lamin 0.0058 0.0176 0.03
Echinococcus multilocularis survival motor neuron protein 1 0.0274 0.1434 0.1433
Trichomonas vaginalis thymidine kinase, putative 0.0784 0.4415 1
Onchocerca volvulus 0.0058 0.0176 0.0888
Brugia malayi Calcitonin receptor-like protein seb-1 0.0109 0.0473 0.3205
Onchocerca volvulus Putative thymidylate kinase 0.0225 0.115 1
Loa Loa (eye worm) intermediate filament protein 0.0058 0.0176 0.122
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0093 0.038 0.059
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0042 0.0081 0.0438
Trichomonas vaginalis thymidine kinase, putative 0.0784 0.4415 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0093 0.038 0.0379
Loa Loa (eye worm) hypothetical protein 0.0042 0.0081 0.0558
Giardia lamblia Thymidine kinase 0.0784 0.4415 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.0081 0.0558
Brugia malayi Inositol-1 0.008 0.0305 0.2023
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0056 0.0164 0.1021
Trypanosoma brucei RNA helicase, putative 0.0226 0.1159 0.2625
Trichomonas vaginalis inositol monophosphatase, putative 0.008 0.0305 0.0517
Echinococcus granulosus survival motor neuron protein 1 0.0274 0.1434 0.2461
Schistosoma mansoni lamin 0.0058 0.0176 0.0237
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0093 0.038 0.059
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.006 0.0191 0.1025
Trichomonas vaginalis myo inositol monophosphatase, putative 0.008 0.0305 0.0517
Brugia malayi hypothetical protein 0.0035 0.0044 0.0176
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0034 0.0039 0.0038
Brugia malayi hypothetical protein 0.0274 0.1434 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.006 0.0191 0.0253
Schistosoma mansoni thyroid hormone receptor 0.0145 0.0684 0.1114
Brugia malayi hypothetical protein 0.0042 0.0081 0.0437
Trypanosoma cruzi thymidine kinase, putative 0.0784 0.4415 1
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.008 0.0305 0.2099
Trichomonas vaginalis ap endonuclease, putative 0.006 0.0191 0.0253
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0042 0.0081 0.0073
Trichomonas vaginalis thymidylate kinase, putative 0.0225 0.115 0.2465
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0034 0.0039 0.0065
Echinococcus multilocularis musashi 0.0058 0.0176 0.0175
Loa Loa (eye worm) hypothetical protein 0.0042 0.0081 0.0558
Loa Loa (eye worm) hypothetical protein 0.0057 0.017 0.1177
Loa Loa (eye worm) hypothetical protein 0.0074 0.0272 0.1889
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0093 0.038 0.0651
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0109 0.0473 0.3205
Schistosoma mansoni hypothetical protein 0.0115 0.0509 0.0812
Trypanosoma cruzi thymidylate kinase, putative 0.0225 0.115 0.2465
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.008 0.0305 0.0517
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.006 0.0191 0.0432
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0042 0.0081 0.0558
Echinococcus multilocularis thymidylate kinase 0.0225 0.115 0.1149
Schistosoma mansoni lamin 0.0058 0.0176 0.0237
Plasmodium vivax ataxin-2 like protein, putative 0.0055 0.0157 0.071
Loa Loa (eye worm) beta-lactamase 0.0042 0.0081 0.0558
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0134 0.0621 0.062
Echinococcus granulosus thymidine kinase 0.1026 0.5826 1
Schistosoma mansoni thymidylate kinase 0.0225 0.115 0.1919
Chlamydia trachomatis thymidylate kinase 0.0225 0.115 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0093 0.038 0.059
Echinococcus multilocularis GPCR, family 2 0.0034 0.0039 0.0038
Schistosoma mansoni thymidine kinase 0.1026 0.5826 1
Plasmodium falciparum thymidylate kinase 0.0225 0.115 1
Giardia lamblia Deoxynucleoside kinase 0.077 0.4332 0.9805
Trypanosoma brucei thymidylate kinase, putative 0.0225 0.115 0.2604
Schistosoma mansoni hypothetical protein 0.0196 0.0982 0.163
Loa Loa (eye worm) hypothetical protein 0.0042 0.0081 0.0558
Schistosoma mansoni lipoxygenase 0.0064 0.0211 0.0297
Loa Loa (eye worm) latrophilin receptor protein 2 0.0034 0.0039 0.0263
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.008 0.0305 0.0517
Trypanosoma brucei thymidine kinase 0.0784 0.4415 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0093 0.038 0.2552
Entamoeba histolytica myo-inositol monophosphatase, putative 0.008 0.0305 0.0518
Schistosoma mansoni thyroid hormone receptor 0.0145 0.0684 0.1114
Trichomonas vaginalis ap endonuclease, putative 0.006 0.0191 0.0253
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0064 0.0211 0.021
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.006 0.0191 0.0836
Loa Loa (eye worm) hypothetical protein 0.0109 0.0473 0.329
Echinococcus multilocularis lamin 0.0058 0.0176 0.0175
Trypanosoma cruzi UMP-CMP kinase, mitochondrial, putative 0.0088 0.0353 0.0627
Brugia malayi latrophilin 2 splice variant baaae 0.0074 0.0272 0.1786
Trichomonas vaginalis myo inositol monophosphatase, putative 0.008 0.0305 0.0517
Echinococcus multilocularis thyroid hormone receptor alpha 0.0145 0.0684 0.0683
Brugia malayi Intermediate filament tail domain containing protein 0.0058 0.0176 0.1109
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0042 0.0081 0.0073
Schistosoma mansoni thymidylate kinase 0.0225 0.115 0.1919
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.006 0.0191 0.1025
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0042 0.0081 0.008
Plasmodium vivax thymidylate kinase, putative 0.0225 0.115 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0093 0.038 0.0379
Trypanosoma brucei thymidylate kinase, putative 0.0225 0.115 0.2604
Echinococcus granulosus intermediate filament protein 0.0058 0.0176 0.03
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0042 0.0081 0.0137
Trypanosoma cruzi thymidine kinase, putative 0.0784 0.4415 1
Brugia malayi beta-lactamase family protein 0.0042 0.0081 0.0438
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0093 0.038 0.2645
Toxoplasma gondii LsmAD domain-containing protein 0.0055 0.0157 0.071
Wolbachia endosymbiont of Brugia malayi thymidylate kinase 0.0225 0.115 1
Echinococcus multilocularis lamin dm0 0.0058 0.0176 0.0175
Trypanosoma brucei PAB1-binding protein , putative 0.0055 0.0157 0.0355
Trypanosoma cruzi thymidylate kinase, putative 0.0225 0.115 0.2465
Schistosoma mansoni inositol monophosphatase 0.008 0.0305 0.046
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.008 0.0305 0.1196
Schistosoma mansoni hypothetical protein 0.0134 0.0621 0.1006
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0058 0.0176 0.122
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0134 0.0621 0.1064
Trypanosoma cruzi PAB1-binding protein , putative 0.0055 0.0157 0.0175
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0034 0.0039 0.0065
Loa Loa (eye worm) hypothetical protein 0.0274 0.1434 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.006 0.0191 0.0253
Schistosoma mansoni survival motor neuron protein 0.0056 0.0164 0.0216
Toxoplasma gondii exonuclease III APE 0.006 0.0191 0.1025
Trichomonas vaginalis thymidylate kinase, putative 0.0225 0.115 0.2465
Trypanosoma cruzi PAB1-binding protein , putative 0.0055 0.0157 0.0175
Echinococcus multilocularis inositol monophosphatase 1 0.008 0.0305 0.0304
Schistosoma mansoni hypothetical protein 0.0056 0.0164 0.0216
Echinococcus granulosus thymidylate kinase 0.0225 0.115 0.1972
Echinococcus granulosus inositol monophosphatase 1 0.008 0.0305 0.0522
Loa Loa (eye worm) hypothetical protein 0.0058 0.0176 0.122
Leishmania major hypothetical protein, conserved 0.0055 0.0157 0.0175
Loa Loa (eye worm) hypothetical protein 0.0034 0.0039 0.0263
Echinococcus granulosus GPCR family 2 0.0034 0.0039 0.0065
Trypanosoma brucei hypothetical protein, conserved 0.0042 0.0081 0.0184
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0031 0.0019 0.0125
Leishmania major hypothetical protein, conserved 0.0088 0.0353 0.0627
Entamoeba histolytica Thymidylate kinase, putative 0.0225 0.115 0.2466
Echinococcus granulosus thymidine kinase 0.1026 0.5826 1
Schistosoma mansoni inositol monophosphatase 0.008 0.0305 0.046
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.008 0.0305 0.0692
Brugia malayi exodeoxyribonuclease III family protein 0.006 0.0191 0.1212
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.008 0.0305 0.2099
Schistosoma mansoni transcription factor LCR-F1 0.0042 0.0081 0.0073
Entamoeba histolytica exodeoxyribonuclease III, putative 0.006 0.0191 0.0253
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.006 0.0191 0.034
Schistosoma mansoni hypothetical protein 0.0074 0.0272 0.0403
Toxoplasma gondii thymidylate kinase 0.0225 0.115 1
Schistosoma mansoni intermediate filament proteins 0.0058 0.0176 0.0237
Brugia malayi thymidylate kinase 0.0225 0.115 0.7987
Trypanosoma cruzi UMP-CMP kinase, mitochondrial, putative 0.0088 0.0353 0.0627
Echinococcus granulosus Thymidine kinase 2 mitochondrial 0.1026 0.5826 1
Entamoeba histolytica thymidine kinase, putative 0.0784 0.4415 1
Mycobacterium leprae probable thymidylate kinase Tmk (dTMP KINASE) (THYMIDYLIC ACID KINASE) (TMPK) 0.0225 0.115 1
Schistosoma mansoni hypothetical protein 0.0042 0.0081 0.0073
Echinococcus multilocularis beta LACTamase domain containing family member 0.0042 0.0081 0.008
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.006 0.0191 0.019
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.006 0.0191 0.0253
Onchocerca volvulus 0.0058 0.0176 0.0888
Loa Loa (eye worm) thymidylate kinase 0.0225 0.115 0.8012

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 18.526 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

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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