Detailed information for compound 871566

Basic information

Technical information
  • TDR Targets ID: 871566
  • Name: 9-methyl-2-(6-methylpyrimidin-4-yl)sulfanyl-4 -oxopyrido[1,2-a]pyrimidine-3-carbaldehyde
  • MW: 312.346 | Formula: C15H12N4O2S
  • H donors: 0 H acceptors: 4 LogP: 1.46 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=Cc1c(Sc2ncnc(c2)C)nc2n(c1=O)cccc2C
  • InChi: 1S/C15H12N4O2S/c1-9-4-3-5-19-13(9)18-14(11(7-20)15(19)21)22-12-6-10(2)16-8-17-12/h3-8H,1-2H3
  • InChiKey: XHMNZOJPIYPGQQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 9-methyl-2-(6-methylpyrimidin-4-yl)sulfanyl-4-oxo-pyrido[1,2-a]pyrimidine-3-carbaldehyde
  • 9-methyl-2-[(6-methyl-4-pyrimidinyl)thio]-4-oxo-3-pyrido[1,2-a]pyrimidinecarboxaldehyde
  • 4-keto-9-methyl-2-[(6-methylpyrimidin-4-yl)thio]pyrido[1,2-a]pyrimidine-3-carbaldehyde
  • Oprea1_169068

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
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0011 0.0106 0.0864
Schistosoma mansoni hypothetical protein 0.004 0.1652 0.3185
Echinococcus multilocularis survival motor neuron protein 1 0.0194 1 1
Trypanosoma cruzi ISWI complex protein 0.0013 0.0192 0.157
Trichomonas vaginalis sucrase-isomaltase, putative 0.0024 0.082 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0011 0.0106 0.0864
Mycobacterium ulcerans aldehyde dehydrogenase 0.005 0.2206 1
Schistosoma mansoni hypothetical protein 0.0017 0.0428 0.0665
Onchocerca volvulus 0.004 0.1652 0.4557
Brugia malayi jmjC domain containing protein 0.0087 0.4247 0.4247
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0109 0.5401 0.5401
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0011 0.0106 0.0864
Echinococcus granulosus lysine specific demethylase 5A 0.009 0.4393 0.4333
Trypanosoma brucei ISWI complex protein 0.0013 0.0192 0.157
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0029 0.1107 0.1012
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0024 0.082 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0012 0.0145 0.0145
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0011 0.0106 0.0478
Loa Loa (eye worm) CXXC zinc finger family protein 0.002 0.0583 0.0583
Mycobacterium ulcerans aldehyde dehydrogenase 0.005 0.2206 1
Echinococcus multilocularis fetal alzheimer antigen, falz 0.002 0.0574 0.0474
Echinococcus granulosus thioredoxin glutathione reductase 0.0032 0.1222 0.1128
Schistosoma mansoni cpg binding protein 0.0022 0.0729 0.1283
Echinococcus multilocularis neutral alpha glucosidase AB 0.0024 0.082 0.0722
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0012 0.0145 1
Loa Loa (eye worm) jmjC domain-containing protein 0.009 0.4393 0.4393
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0014 0.027 0.0166
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.005 0.2206 0.2123
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0011 0.0106 0.5
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.005 0.2206 0.2123
Leishmania major hypothetical protein, conserved 0.0023 0.0776 0.3516
Schistosoma mansoni hypothetical protein 0.0013 0.0192 0.0178
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.008 0.3846 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.008 0.3846 1
Plasmodium vivax thioredoxin reductase, putative 0.0032 0.1222 1
Onchocerca volvulus 0.0063 0.2918 0.8048
Loa Loa (eye worm) hypothetical protein 0.0036 0.1466 0.1466
Plasmodium falciparum glutathione reductase 0.0032 0.1222 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0109 0.5401 0.5352
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0012 0.0145 0.1766
Loa Loa (eye worm) hypothetical protein 0.0023 0.0776 0.0776
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0087 0.4247 0.4185
Leishmania major alpha glucosidase II subunit, putative 0.0024 0.082 0.3716
Brugia malayi jmjC domain containing protein 0.0023 0.0776 0.0776
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0014 0.0293 0.0386
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0011 0.0106 0.0864
Schistosoma mansoni jumonji/arid domain-containing protein 0.009 0.4393 0.8827
Brugia malayi PHD-finger family protein 0.0022 0.0679 0.0679
Echinococcus granulosus neutral alpha glucosidase AB 0.0024 0.082 0.0722
Echinococcus multilocularis lysosomal alpha glucosidase 0.0109 0.5401 0.5352
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.005 0.2206 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.019 0.9785 0.9785
Leishmania major trypanothione reductase 0.0032 0.1222 0.5539
Schistosoma mansoni aldehyde dehydrogenase 0.005 0.2206 0.4325
Trypanosoma cruzi hypothetical protein, conserved 0.0024 0.082 0.6708
Trichomonas vaginalis alpha-glucosidase, putative 0.0024 0.082 1
Loa Loa (eye worm) glutathione reductase 0.0032 0.1222 0.1222
Schistosoma mansoni aldehyde dehydrogenase 0.005 0.2206 0.4325
Plasmodium vivax glutathione reductase, putative 0.0032 0.1222 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0024 0.082 1
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0012 0.0145 0.0656
Schistosoma mansoni cpg binding protein 0.002 0.0583 0.0983
Trichomonas vaginalis mercuric reductase, putative 0.0011 0.0106 0.1287
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0014 0.0293 0.019
Loa Loa (eye worm) hypothetical protein 0.0014 0.0293 0.0293
Plasmodium vivax JmjC domain containing protein 0.0023 0.0776 0.6002
Onchocerca volvulus Huntingtin homolog 0.0076 0.3626 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0024 0.082 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0109 0.5401 0.5401
Mycobacterium ulcerans aldehyde dehydrogenase 0.005 0.2206 1
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0011 0.0106 0.0864
Trypanosoma cruzi ISWI complex protein 0.0013 0.0192 0.157
Loa Loa (eye worm) jmjC domain-containing protein 0.0023 0.0776 0.0776
Trichomonas vaginalis alpha-glucosidase, putative 0.0024 0.082 1
Brugia malayi exodeoxyribonuclease III family protein 0.0012 0.0145 0.0145
Echinococcus multilocularis thioredoxin glutathione reductase 0.0032 0.1222 0.1128
Schistosoma mansoni alpha glucosidase 0.0024 0.082 0.1471
Toxoplasma gondii histone lysine demethylase JMJD6a 0.0023 0.0776 0.319
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0012 0.0145 0.0187
Brugia malayi Bromodomain containing protein 0.0031 0.1212 0.1212
Brugia malayi Glycosyl hydrolases family 31 protein 0.0024 0.082 0.082
Echinococcus granulosus fetal alzheimer antigen falz 0.002 0.0574 0.0474
Echinococcus granulosus cpg binding protein 0.0022 0.0729 0.063
Trypanosoma cruzi hypothetical protein, conserved 0.0024 0.082 0.6708
Trichomonas vaginalis alpha-glucosidase, putative 0.0024 0.082 1
Echinococcus granulosus zinc finger protein 0.0017 0.0443 0.0341
Schistosoma mansoni survival motor neuron protein 0.004 0.1652 0.3185
Toxoplasma gondii exonuclease III APE 0.0012 0.0145 0.0187
Trypanosoma cruzi trypanothione reductase, putative 0.0011 0.0106 0.0864
Toxoplasma gondii aldehyde dehydrogenase 0.005 0.2206 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.1215 0.1215
Loa Loa (eye worm) hypothetical protein 0.0058 0.265 0.265
Brugia malayi CXXC zinc finger family protein 0.002 0.0583 0.0583
Schistosoma mansoni phd/f-box containing protein 0.0023 0.0776 0.138
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0072 0.3411 0.8837
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0024 0.082 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0012 0.0145 0.004
Echinococcus multilocularis zinc finger protein 0.0017 0.0443 0.0341
Brugia malayi jmjC domain containing protein 0.009 0.4393 0.4393
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.005 0.2222 0.2139
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0011 0.0106 0.0864
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0042 0.1782 0.3452
Brugia malayi glutathione reductase 0.0032 0.1222 0.1222
Trypanosoma brucei glucosidase, putative 0.0024 0.082 0.6708
Echinococcus granulosus lysosomal alpha glucosidase 0.0109 0.5401 0.5352
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.002 0.0574 0.0965
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0011 0.0106 0.0864
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0011 0.0106 0.0106
Mycobacterium tuberculosis Probable oxidoreductase 0.008 0.3846 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0014 0.0293 0.019
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.008 0.3846 1
Loa Loa (eye worm) hypothetical protein 0.0076 0.3626 0.3626
Schistosoma mansoni alpha-glucosidase 0.0094 0.4581 0.9214
Echinococcus multilocularis jumonji domain containing 1A 0.0023 0.0776 0.0677
Schistosoma mansoni methyl-cpg binding protein mbd 0.0014 0.027 0.0338
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0011 0.0106 0.0864
Plasmodium falciparum thioredoxin reductase 0.0032 0.1222 1
Trichomonas vaginalis glutathione reductase, putative 0.0011 0.0106 0.1287
Loa Loa (eye worm) PHD-finger family protein 0.0017 0.0428 0.0428
Schistosoma mansoni methyl-cpg binding protein mbd 0.0014 0.027 0.0338
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0011 0.0106 0.0478
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0072 0.3411 0.8837
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0024 0.082 0.082
Trichomonas vaginalis alpha-glucosidase, putative 0.0024 0.082 1
Echinococcus granulosus phd:f box containing protein 0.0023 0.0776 0.0677
Schistosoma mansoni zinc finger protein 0.0013 0.0192 0.0178
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0026 0.0921 0.0825
Trypanosoma cruzi trypanothione reductase, putative 0.0032 0.1222 1
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0026 0.0921 0.0825
Toxoplasma gondii histone lysine methyltransferase SET1 0.0039 0.1645 0.7328
Schistosoma mansoni jumonji domain containing protein 0.0023 0.0776 0.138
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0023 0.0776 0.6347
Brugia malayi jmjC domain containing protein 0.0023 0.0776 0.0776
Schistosoma mansoni phosphatidylserine receptor 0.0023 0.0776 0.138
Onchocerca volvulus 0.002 0.0583 0.1608
Onchocerca volvulus Huntingtin homolog 0.0076 0.3626 1
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0023 0.0776 0.6347
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0011 0.0106 0.0864
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0072 0.3411 0.8837
Brugia malayi follicle stimulating hormone receptor 0.019 0.9785 0.9785
Schistosoma mansoni jumonji domain containing protein 0.0087 0.4247 0.8527
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.005 0.2206 0.5616
Schistosoma mansoni alpha-glucosidase 0.0094 0.4581 0.9214
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0014 0.0293 0.0386
Echinococcus multilocularis JmjC domain containing protein 4 0.0023 0.0776 0.0677
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0011 0.0106 0.0864
Mycobacterium tuberculosis Probable reductase 0.0072 0.3411 0.8837
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0029 0.1107 0.1012
Loa Loa (eye worm) jmjC domain-containing protein 0.0023 0.0776 0.0776
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0024 0.082 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.004 0.1652 0.1652
Trypanosoma brucei trypanothione reductase 0.0032 0.1222 1
Loa Loa (eye worm) hypothetical protein 0.0194 1 1
Schistosoma mansoni protein phosphatase 2C 0.0023 0.0776 0.138
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0012 0.0145 0.0105
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0012 0.0145 0.004
Toxoplasma gondii thioredoxin reductase 0.0032 0.1222 0.5315
Loa Loa (eye worm) bromodomain containing protein 0.0014 0.0297 0.0297
Trichomonas vaginalis ap endonuclease, putative 0.0012 0.0145 0.1766
Schistosoma mansoni bromodomain containing protein 0.0053 0.2381 0.4684
Treponema pallidum exodeoxyribonuclease (exoA) 0.0012 0.0145 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.009 0.4393 0.8827
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0012 0.0145 0.1185
Schistosoma mansoni ap endonuclease 0.0012 0.0145 0.0081
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0012 0.0145 0.0352
Leishmania major hypothetical protein, conserved 0.0013 0.0192 0.087
Loa Loa (eye worm) hypothetical protein 0.0023 0.0776 0.0776
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0072 0.3411 0.8837
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0012 0.0145 0.1185
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0032 0.1222 0.2985
Trichomonas vaginalis maltase-glucoamylase, putative 0.0024 0.082 1
Schistosoma mansoni ap endonuclease 0.0012 0.0145 0.0081
Loa Loa (eye worm) hypothetical protein 0.0076 0.3626 0.3626
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0024 0.082 0.34
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0012 0.0145 1
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0023 0.0776 0.6347
Schistosoma mansoni cpg binding protein 0.0022 0.0729 0.1283
Loa Loa (eye worm) jmjC domain-containing protein 0.0023 0.0776 0.0776
Loa Loa (eye worm) hypothetical protein 0.0033 0.132 0.132
Brugia malayi Thioredoxin reductase 0.0032 0.1222 0.1222
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0011 0.0106 0.0478
Loa Loa (eye worm) thioredoxin reductase 0.0032 0.1222 0.1222
Echinococcus multilocularis phd:f box containing protein 0.0023 0.0776 0.0677
Loa Loa (eye worm) hypothetical protein 0.0023 0.0776 0.0776
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0012 0.0145 0.0352
Schistosoma mansoni zinc finger protein 0.0017 0.0443 0.0694
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0011 0.0106 0.0864
Echinococcus granulosus JmjC domain containing protein 4 0.0023 0.0776 0.0677
Brugia malayi hypothetical protein 0.0076 0.3626 0.3626
Echinococcus granulosus methyl CpG binding domain protein 2 0.0014 0.027 0.0166
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0012 0.0145 0.1185
Brugia malayi Bromodomain containing protein 0.0063 0.29 0.29
Brugia malayi jmjC domain containing protein 0.0023 0.0776 0.0776
Echinococcus multilocularis lysine specific demethylase 6a 0.0023 0.0776 0.0677
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0011 0.0106 0.0478
Echinococcus multilocularis lysine specific demethylase 5A 0.0087 0.4247 0.4185
Plasmodium falciparum JmjC domain-containing protein, putative 0.0023 0.0776 0.6002
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0011 0.0106 0.0864
Echinococcus granulosus jumonji domain containing 1A 0.0023 0.0776 0.0677
Echinococcus granulosus survival motor neuron protein 1 0.0194 1 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0072 0.3411 0.8837
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0087 0.4247 0.4185
Brugia malayi jmjC domain containing protein 0.0023 0.0776 0.0776
Echinococcus granulosus lysine specific demethylase 6a 0.0023 0.0776 0.0677
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.005 0.2222 0.2139
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0023 0.0776 0.138
Trichomonas vaginalis ap endonuclease, putative 0.0012 0.0145 0.1766
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0023 0.0776 0.319
Echinococcus multilocularis cpg binding protein 0.0022 0.0729 0.063

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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