Detailed information for compound 702644

Basic information

Technical information
  • TDR Targets ID: 702644
  • Name: N-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[5,4-d ]pyrimidin-5-yl]-2-ethylsulfanylbenzamide
  • MW: 419.499 | Formula: C22H21N5O2S
  • H donors: 1 H acceptors: 3 LogP: 3.97 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCSc1ccccc1C(=O)Nn1cnc2c(c1=O)cnn2c1ccc(c(c1)C)C
  • InChi: 1S/C22H21N5O2S/c1-4-30-19-8-6-5-7-17(19)21(28)25-26-13-23-20-18(22(26)29)12-24-27(20)16-10-9-14(2)15(3)11-16/h5-13H,4H2,1-3H3,(H,25,28)
  • InChiKey: PNBMQKJIFFUIOR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[1-(3,4-dimethylphenyl)-4-oxo-pyrazolo[5,4-d]pyrimidin-5-yl]-2-ethylsulfanyl-benzamide
  • N-[1-(3,4-dimethylphenyl)-4-oxo-5-pyrazolo[5,4-d]pyrimidinyl]-2-(ethylthio)benzamide
  • N-[1-(3,4-dimethylphenyl)-4-keto-pyrazolo[5,4-d]pyrimidin-5-yl]-2-(ethylthio)benzamide

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) hypothetical protein 0.0035 0.1272 0.1211
Onchocerca volvulus 0.0035 0.1272 0.5685
Echinococcus multilocularis acetylcholinesterase 0.0206 1 1
Onchocerca volvulus Fatty acid synthase homolog 0.0044 0.1738 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.1272 0.1211
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0024 0.0702 0.5182
Mycobacterium leprae Probable pyruvate kinase PykA 0.0036 0.1345 0.9904
Echinococcus multilocularis BC026374 protein (S09 family) 0.0035 0.1272 0.0874
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0026 0.0817 0.6033
Mycobacterium ulcerans Type I modular polyketide synthase 0.0024 0.074 0.4065
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.0436 0.5
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.002 0.0497 0.172
Toxoplasma gondii exonuclease III APE 0.0018 0.0436 0.2549
Toxoplasma gondii pyruvate kinase PyKII 0.0019 0.0446 0.2626
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0032 0.1141 0.0737
Loa Loa (eye worm) latrophilin receptor protein 2 0.0032 0.1141 0.108
Mycobacterium leprae Probable polyketide synthase Pks1 0.0026 0.0817 0.481
Echinococcus multilocularis pyruvate kinase 0.0036 0.1345 0.095
Schistosoma mansoni acetylcholinesterase 0.0035 0.1272 0.0874
Loa Loa (eye worm) hypothetical protein 0.0032 0.1141 0.108
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.002 0.0497 0.172
Schistosoma mansoni gliotactin 0.0035 0.1272 0.0874
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0032 0.1141 0.0737
Echinococcus granulosus GPCR family 2 0.0032 0.1141 0.0737
Schistosoma mansoni BC026374 protein (S09 family) 0.0035 0.1272 0.0874
Onchocerca volvulus Pyruvate kinase homolog 0.0036 0.1345 0.636
Mycobacterium ulcerans Type I modular polyketide synthase 0.0024 0.074 0.4065
Onchocerca volvulus 0.0042 0.166 0.9285
Brugia malayi Carboxylesterase family protein 0.0035 0.1272 0.1222
Echinococcus granulosus acetylcholinesterase 0.0206 1 1
Loa Loa (eye worm) carboxylesterase 0.0206 1 1
Schistosoma mansoni pyruvate kinase 0.0036 0.1345 0.095
Toxoplasma gondii type I fatty acid synthase, putative 0.0026 0.0817 0.5674
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.002 0.0533 0.2064
Trypanosoma brucei pyruvate kinase 1 0.0036 0.1345 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0032 0.1141 0.1091
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0.0436 0.5
Loa Loa (eye worm) hypothetical protein 0.0041 0.1585 0.1527
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0035 0.1272 0.9198
Loa Loa (eye worm) pyruvate kinase 0.0036 0.1345 0.1285
Loa Loa (eye worm) pyruvate kinase-PB 0.0025 0.0786 0.0722
Echinococcus multilocularis pyruvate kinase 0.0019 0.0446 0.001
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0035 0.1272 0.0874
Loa Loa (eye worm) hypothetical protein 0.0146 0.6955 0.6933
Trichomonas vaginalis spcc417.12 protein, putative 0.0035 0.1272 0.9198
Loa Loa (eye worm) carboxylesterase 0.0035 0.1272 0.1211
Brugia malayi Latrophilin receptor protein 2 0.0032 0.1141 0.1091
Brugia malayi Carboxylesterase family protein 0.0035 0.1272 0.1222
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0036 0.1355 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0786 0.0722
Trypanosoma cruzi pyruvate kinase 2, putative 0.0036 0.1345 1
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0026 0.0817 0.6033
Schistosoma mansoni neuroligin 3 (S09 family) 0.0035 0.1272 0.0874
Brugia malayi Carboxylesterase family protein 0.0035 0.1272 0.1222
Loa Loa (eye worm) hypothetical protein 0.0035 0.1272 0.1211
Mycobacterium leprae Polyketide synthase Pks13 0.0036 0.1355 1
Echinococcus multilocularis pyruvate kinase 0.0036 0.1345 0.095
Onchocerca volvulus 0.0035 0.1272 0.5685
Onchocerca volvulus 0.0035 0.1272 0.5685
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0036 0.1355 1
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0026 0.0817 0.6033
Leishmania major pyruvate kinase 0.0036 0.1345 1
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.0024 0.074 0.4065
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.0436 0.037
Loa Loa (eye worm) hypothetical protein 0.0102 0.4692 0.4656
Mycobacterium ulcerans Type I modular polyketide synthase 0.0024 0.074 0.4065
Echinococcus granulosus BC026374 protein S09 family 0.0035 0.1272 0.0874
Echinococcus granulosus pyruvate kinase 0.0036 0.1345 0.095
Echinococcus multilocularis neuroligin 0.0035 0.1272 0.0874
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0024 0.074 0.5463
Echinococcus granulosus carboxylesterase 5A 0.0206 1 1
Mycobacterium ulcerans thioesterase TesA 0.002 0.0533 0.2064
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0023 0.0659 0.0594
Mycobacterium ulcerans polyketide synthase Pks13 0.0036 0.1355 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.1272 0.1211
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0026 0.0817 0.481
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0023 0.0659 0.4861
Schistosoma mansoni pyruvate kinase 0.0019 0.0446 0.001
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0024 0.074 0.0688
Echinococcus granulosus neuroligin 0.0035 0.1272 0.0874
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0035 0.1272 0.9389
Loa Loa (eye worm) hypothetical protein 0.0035 0.1272 0.1211
Toxoplasma gondii pyruvate kinase PyK1 0.0036 0.1345 1
Loa Loa (eye worm) pyruvate kinase 0.0036 0.1345 0.1285
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0018 0.0436 0.113
Loa Loa (eye worm) hypothetical protein 0.0014 0.0194 0.0126
Echinococcus granulosus muscleblind protein 0.0146 0.6955 0.6816
Schistosoma mansoni hypothetical protein 0.0032 0.1141 0.0737
Brugia malayi Pyruvate kinase, muscle isozyme 0.0036 0.1345 0.1296
Echinococcus granulosus pyruvate kinase 0.0019 0.0446 0.001
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0206 1 1
Brugia malayi Carboxylesterase family protein 0.0035 0.1272 0.1222
Schistosoma mansoni hypothetical protein 0.0032 0.1141 0.0737
Mycobacterium tuberculosis Probable thioesterase TesA 0.002 0.0533 0.3934
Loa Loa (eye worm) pyruvate kinase 0.0036 0.1345 0.1285
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0018 0.0436 0.322
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0026 0.0817 0.481
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0046 0.1853 0.1807
Echinococcus multilocularis para nitrobenzyl esterase 0.0035 0.1272 0.0874
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0017 0.039 0.288
Onchocerca volvulus Pyruvate kinase homolog 0.0036 0.1345 0.636
Loa Loa (eye worm) hypothetical protein 0.0206 1 1
Mycobacterium ulcerans pyruvate kinase 0.0036 0.1345 0.9904
Loa Loa (eye worm) hypothetical protein 0.0146 0.6955 0.6933
Plasmodium vivax pyruvate kinase, putative 0.0036 0.1345 1
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0436 0.0382
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0035 0.1272 0.0874
Mycobacterium tuberculosis Carboxylesterase LipT 0.0035 0.1272 0.9389
Echinococcus multilocularis GPCR, family 2 0.0032 0.1141 0.0737
Echinococcus multilocularis pyruvate kinase 0.0019 0.0446 0.001
Loa Loa (eye worm) hypothetical protein 0.0036 0.1345 0.1285
Entamoeba histolytica pyruvate kinase, putative 0.0025 0.0786 1
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0659 0.0606
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.002 0.0514 0.3792
Brugia malayi Pyruvate kinase, M2 isozyme 0.0036 0.1345 0.1296
Echinococcus multilocularis acetylcholinesterase 0.0206 1 1
Onchocerca volvulus Pyruvate kinase homolog 0.0036 0.1345 0.636
Leishmania major pyruvate kinase 0.0036 0.1345 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0035 0.1272 0.0874
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.0024 0.074 0.4065
Trichomonas vaginalis pyruvate kinase, putative 0.0036 0.1345 1
Echinococcus granulosus pyruvate kinase 0.0036 0.1345 0.095
Giardia lamblia Pyruvate kinase 0.0019 0.0446 0.0103
Toxoplasma gondii type I fatty acid synthase, putative 0.0017 0.0382 0.2104
Brugia malayi Muscleblind-like protein 0.0146 0.6955 0.6937
Schistosoma mansoni hypothetical protein 0.0032 0.1141 0.0737
Mycobacterium tuberculosis Probable polyketide synthase Pks9 0.0014 0.0204 0.1505
Trichomonas vaginalis pyruvate kinase, putative 0.0036 0.1345 1
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0024 0.074 0.5463
Mycobacterium ulcerans polyketide synthase 0.0024 0.074 0.4065
Mycobacterium ulcerans carboxylesterase, LipT 0.0035 0.1272 0.92
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0035 0.1272 0.9389
Plasmodium vivax pyruvate kinase 2, putative 0.0019 0.0446 0.0103
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.0016 0.0304 0.1461
Loa Loa (eye worm) hypothetical protein 0.0206 1 1
Echinococcus multilocularis pyruvate kinase 0.0029 0.0956 0.0543
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0024 0.0702 0.5182
Echinococcus granulosus para nitrobenzyl esterase 0.0035 0.1272 0.0874
Echinococcus multilocularis carboxylesterase 5A 0.0206 1 1
Trypanosoma cruzi pyruvate kinase 2, putative 0.0036 0.1345 1
Schistosoma mansoni pyruvate kinase 0.0036 0.1345 0.095
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.002 0.0497 0.172
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0102 0.4692 0.4662
Loa Loa (eye worm) fatty acid synthase 0.0024 0.0724 0.0659
Loa Loa (eye worm) hypothetical protein 0.0035 0.1272 0.1211
Echinococcus granulosus acetylcholinesterase 0.0206 1 1
Mycobacterium ulcerans thioesterase 0.002 0.0533 0.2064
Loa Loa (eye worm) carboxylesterase 0.0035 0.1272 0.1211
Plasmodium falciparum pyruvate kinase 2 0.0019 0.0446 0.0103
Echinococcus multilocularis muscleblind protein 1 0.0146 0.6955 0.6816
Echinococcus granulosus pyruvate kinase 0.0019 0.0446 0.001
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0024 0.074 0.4065
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0035 0.1272 0.0874
Loa Loa (eye worm) hypothetical protein 0.007 0.3049 0.3001
Brugia malayi Calcitonin receptor-like protein seb-1 0.0102 0.4692 0.4662
Brugia malayi hypothetical protein 0.0035 0.1272 0.1222
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0024 0.074 0.5463
Loa Loa (eye worm) hypothetical protein 0.0035 0.1272 0.1211
Schistosoma mansoni hypothetical protein 0.0032 0.1141 0.0737
Onchocerca volvulus 0.0035 0.1272 0.5685
Echinococcus multilocularis muscleblind protein 0.0146 0.6955 0.6816
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0036 0.1345 0.9927
Onchocerca volvulus 0.0035 0.1272 0.5685
Giardia lamblia Pyruvate kinase 0.0036 0.1345 1
Trypanosoma brucei pyruvate kinase 1, putative 0.0036 0.1345 1
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0035 0.1272 0.0874
Echinococcus multilocularis pyruvate kinase 0.0019 0.0446 0.001
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0032 0.1141 0.0737
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0032 0.1141 0.0737
Schistosoma mansoni hypothetical protein 0.007 0.3049 0.2732
Echinococcus granulosus pyruvate kinase 0.0019 0.0446 0.001
Brugia malayi Carboxylesterase family protein 0.0206 1 1
Brugia malayi latrophilin 2 splice variant baaae 0.007 0.3049 0.3009
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0026 0.0817 0.481
Loa Loa (eye worm) acetylcholinesterase 1 0.0206 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0102 0.4692 0.4656
Plasmodium falciparum pyruvate kinase 0.0036 0.1345 1
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0026 0.0817 0.481
Chlamydia trachomatis pyruvate kinase 0.0036 0.1345 0.5
Mycobacterium ulcerans polyketide synthase 0.0026 0.0817 0.481

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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