Detailed information for compound 837072

Basic information

Technical information
  • TDR Targets ID: 837072
  • Name: N-(2-methoxyphenyl)-2-[4-oxo-3-(phenylmethyl) pyrido[2,3-d]pyrimidin-2-yl]sulfanylacetamide
  • MW: 432.495 | Formula: C23H20N4O3S
  • H donors: 1 H acceptors: 3 LogP: 3.45 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccccc1NC(=O)CSc1nc2ncccc2c(=O)n1Cc1ccccc1
  • InChi: 1S/C23H20N4O3S/c1-30-19-12-6-5-11-18(19)25-20(28)15-31-23-26-21-17(10-7-13-24-21)22(29)27(23)14-16-8-3-2-4-9-16/h2-13H,14-15H2,1H3,(H,25,28)
  • InChiKey: JEFAIEUSOBMGJA-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • N-(2-methoxyphenyl)-2-[4-oxo-3-(phenylmethyl)pyrido[2,3-d]pyrimidin-2-yl]sulfanyl-acetamide
  • N-(2-methoxyphenyl)-2-[[4-oxo-3-(phenylmethyl)-2-pyrido[2,3-d]pyrimidinyl]thio]acetamide
  • 2-[[3-(benzyl)-4-keto-pyrido[2,3-d]pyrimidin-2-yl]thio]-N-(2-methoxyphenyl)acetamide
  • N-(2-methoxyphenyl)-2-[4-oxo-3-(phenylmethyl)pyrido[2,3-d]pyrimidin-2-yl]sulfanyl-ethanamide

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) nuclear hormone receptor family member nhr-49 0.0011 0.0752 0.1062
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.1337 0.1887
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.2432 0.3432
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.2432 0.3432
Schistosoma mansoni steroid hormone receptor ad4bp 0.0011 0.0752 0.0752
Schistosoma mansoni terminal deoxycytidyl transferase 0.0022 0.2432 0.2432
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0011 0.0752 0.1062
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0011 0.0752 0.1062
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0011 0.0752 0.0752
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.0752 0.1062
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0011 0.0752 0.1062
Brugia malayi ImpB/MucB/SamB family protein 0.0022 0.2432 0.3432
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.0752 0.1062
Giardia lamblia DINP protein human, muc B family 0.0022 0.2432 0.4295
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0042 0.5662 0.5662
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0042 0.5662 0.5662
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0022 0.2432 0.2432
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0011 0.0752 0.1062
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.2432 0.3432
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0011 0.0752 0.1062
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0042 0.5662 1
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0022 0.2432 0.1816
Trypanosoma cruzi DNA polymerase eta, putative 0.005 0.7086 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0752 0.1062
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.0752 0.1062
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.0752 0.1062
Mycobacterium ulcerans DNA polymerase IV 0.0022 0.2432 0.2432
Loa Loa (eye worm) steroid hormone receptor 0.0011 0.0752 0.1062
Loa Loa (eye worm) hypothetical protein 0.0011 0.0752 0.1062
Echinococcus granulosus dna polymerase eta 0.005 0.7086 0.6849
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0042 0.5662 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.5662 0.7991
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.2432 0.3432
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0068 1 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0752 0.1062
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0011 0.0752 0.0752
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0011 0.0752 0.1062
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.1337 0.1887
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0011 0.0752 0.0752
Schistosoma mansoni aldehyde dehydrogenase 0.0068 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0011 0.0752 0.1062
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.2432 0.3432
Schistosoma mansoni retinoic acid receptor RXR 0.0011 0.0752 0.0752
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0011 0.0752 0.1062
Trypanosoma brucei unspecified product 0.0015 0.1337 0.1887
Echinococcus granulosus ubiquitin specific protease 41 0.0042 0.5662 0.5309
Echinococcus multilocularis ubiquitin specific protease 41 0.0042 0.5662 0.5309
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.2432 0.3432
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0068 1 1
Echinococcus multilocularis dna polymerase kappa 0.0022 0.2432 0.1816
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0752 0.0752
Schistosoma mansoni RAR-like nuclear receptor 0.0011 0.0752 0.0752
Brugia malayi ImpB/MucB/SamB family protein 0.005 0.7086 1
Loa Loa (eye worm) hypothetical protein 0.005 0.7086 1
Brugia malayi nuclear hormone receptor 0.0011 0.0752 0.1062
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.2432 0.3432
Schistosoma mansoni nuclear hormone receptor 0.0011 0.0752 0.0752
Echinococcus multilocularis dna polymerase eta 0.005 0.7086 0.6849
Plasmodium vivax DNA repair protein REV1, putative 0.0007 0 0.5
Leishmania major DNA polymerase eta, putative 0.0035 0.4654 0.4654
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.2432 0.3432
Toxoplasma gondii aldehyde dehydrogenase 0.0068 1 1
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0042 0.5662 0.5309
Mycobacterium ulcerans aldehyde dehydrogenase 0.0068 1 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0011 0.0752 0.1062
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0011 0.0752 0.1062
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.0752 0.1062
Loa Loa (eye worm) hypothetical protein 0.0011 0.0752 0.1062
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0042 0.5662 0.5662
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0042 0.5662 0.5309
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0042 0.5662 0.7991
Leishmania major DNA polymerase eta, putative 0.005 0.7086 0.7086
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0011 0.0752 0.0752
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.2432 0.3432
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.2432 0.3432
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0042 0.5662 0.5309
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.2432 0.3432
Schistosoma mansoni aldehyde dehydrogenase 0.0068 1 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0011 0.0752 0.0752
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0752 0.0752
Loa Loa (eye worm) hypothetical protein 0.0011 0.0752 0.1062
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.0752 0.1062
Onchocerca volvulus Protein ultraspiracle homolog 0.0011 0.0752 0.5
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0042 0.5662 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0752 0.1062
Onchocerca volvulus 0.0011 0.0752 0.5
Trypanosoma brucei DNA polymerase eta, putative 0.005 0.7086 1
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0042 0.5662 1
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.5662 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0011 0.0752 0.1062
Brugia malayi steroid hormone receptor 0.0011 0.0752 0.1062
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0035 0.4654 0.4654
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0042 0.5662 0.7991
Trypanosoma brucei DNA polymerase IV, putative 0.0022 0.2432 0.3432
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0042 0.5662 0.7991
Loa Loa (eye worm) hypothetical protein 0.0011 0.0752 0.1062
Trypanosoma brucei unspecified product 0.0022 0.2432 0.3432
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0011 0.0752 0.0752
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0011 0.0752 0.1062
Trypanosoma brucei DNA polymerase IV, putative 0.0022 0.2432 0.3432
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.2432 0.3432
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.0752 0.1062
Schistosoma mansoni DNA polymerase eta 0.005 0.7086 0.7086
Brugia malayi Steroid receptor seven-up type 2 0.0011 0.0752 0.1062
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.2432 0.3432
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0022 0.2432 0.3432
Brugia malayi nuclear receptor NHR-88 0.0011 0.0752 0.1062
Mycobacterium ulcerans aldehyde dehydrogenase 0.0068 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0011 0.0752 0.1062
Brugia malayi ecdysteroid receptor 0.0011 0.0752 0.1062
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0042 0.5662 0.5309
Leishmania major DNA polymerase kappa, putative 0.0022 0.2432 0.2432
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0011 0.0752 0.5
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0011 0.0752 0.1062
Onchocerca volvulus Bile acid receptor homolog 0.0011 0.0752 0.5
Mycobacterium ulcerans DNA polymerase IV 0.0022 0.2432 0.2432
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0022 0.2432 0.1816
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.2432 0.3432
Trypanosoma brucei DNA polymerase IV, putative 0.0022 0.2432 0.3432
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0022 0.2432 0.2432
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0068 1 1
Echinococcus granulosus dna polymerase kappa 0.0022 0.2432 0.1816
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.1337 0.1887
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0042 0.5662 0.7991
Mycobacterium ulcerans aldehyde dehydrogenase 0.0068 1 1
Trypanosoma brucei unspecified product 0.0015 0.1337 0.1887
Trypanosoma cruzi DNA polymerase eta, putative 0.0035 0.4654 0.6568
Plasmodium falciparum DNA repair protein REV1, putative 0.0007 0 0.5
Schistosoma mansoni coup transcription factor 0.0011 0.0752 0.0752
Loa Loa (eye worm) hypothetical protein 0.0011 0.0752 0.1062

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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