Detailed information for compound 1539382

Basic information

Technical information
  • TDR Targets ID: 1539382
  • Name: N-(4-chlorophenyl)-2-(6-ethyl-1,3-dimethyl-2, 4-dioxopyrido[2,3-d]pyrimidin-5-yl)sulfanylac etamide
  • MW: 418.897 | Formula: C19H19ClN4O3S
  • H donors: 1 H acceptors: 4 LogP: 2.91 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1cnc2c(c1SCC(=O)Nc1ccc(cc1)Cl)c(=O)n(c(=O)n2C)C
  • InChi: 1S/C19H19ClN4O3S/c1-4-11-9-21-17-15(18(26)24(3)19(27)23(17)2)16(11)28-10-14(25)22-13-7-5-12(20)6-8-13/h5-9H,4,10H2,1-3H3,(H,22,25)
  • InChiKey: NVOWMHSNYJSXIY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(4-chlorophenyl)-2-(6-ethyl-1,3-dimethyl-2,4-dioxo-pyrido[2,3-d]pyrimidin-5-yl)sulfanyl-acetamide
  • N-(4-chlorophenyl)-2-[(6-ethyl-1,3-dimethyl-2,4-dioxo-5-pyrido[2,3-d]pyrimidinyl)thio]acetamide
  • N-(4-chlorophenyl)-2-[(6-ethyl-2,4-diketo-1,3-dimethyl-pyrido[2,3-d]pyrimidin-5-yl)thio]acetamide
  • N-(4-chlorophenyl)-2-(6-ethyl-1,3-dimethyl-2,4-dioxo-pyrido[2,3-d]pyrimidin-5-yl)sulfanyl-ethanamide
  • ZINC04942131
  • G857-1009
  • NCGC00137415-01

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
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0314 0.5096 1
Trypanosoma cruzi hypothetical protein, conserved 0.0013 0.0134 0.07
Brugia malayi RNA recognition motif domain containing protein 0.0069 0.107 0.1905
Echinococcus granulosus kelch ECH associated protein 1 like 0.0102 0.1598 0.3038
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0382 0.2002
Toxoplasma gondii LsmAD domain-containing protein 0.0028 0.0382 1
Schistosoma mansoni tsg101-related 0.0051 0.0764 0.4769
Loa Loa (eye worm) RNA binding protein 0.0069 0.107 0.1905
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.012 0.1907 1
Echinococcus multilocularis muscleblind protein 1 0.0324 0.5259 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0069 0.107 0.1905
Brugia malayi hypothetical protein 0.0018 0.0221 0.0393
Loa Loa (eye worm) hypothetical protein 0.0162 0.26 0.4631
Brugia malayi TAR-binding protein 0.0069 0.107 0.1905
Mycobacterium ulcerans UDP-galactopyranose mutase Glf 0.0612 1 1
Entamoeba histolytica serine/threonine protein kinase, putative 0.0102 0.1598 0.2951
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0382 1
Loa Loa (eye worm) hypothetical protein 0.0075 0.1157 0.2062
Entamoeba histolytica hypothetical protein 0.0039 0.0564 0.0867
Trypanosoma brucei calpain-like protein, putative 0.012 0.1907 1
Echinococcus granulosus tumor susceptibility gene 101 protein 0.0075 0.1157 0.2201
Brugia malayi hypothetical protein 0.0075 0.1157 0.2062
Brugia malayi RNA binding protein 0.0069 0.107 0.1905
Echinococcus multilocularis kelch ECH associated protein 1 0.0102 0.1598 0.3038
Leishmania major hypothetical protein, conserved 0.0024 0.0321 0.1684
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0314 0.5096 1
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0102 0.1598 0.3039
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.012 0.1907 1
Schistosoma mansoni hypothetical protein 0.0012 0.0131 0.082
Trichomonas vaginalis hypothetical protein 0.0036 0.0527 0.0792
Trypanosoma cruzi polo-like protein kinase, putative 0.0102 0.1598 0.8382
Schistosoma mansoni tar DNA-binding protein 0.0069 0.107 0.6674
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0039 0.0564 0.1073
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0205 0.039
Brugia malayi hypothetical protein 0.0028 0.0382 0.068
Trypanosoma brucei PAB1-binding protein , putative 0.0028 0.0382 0.14
Echinococcus multilocularis isocitrate dehydrogenase 0.0017 0.0205 0.039
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative 0.012 0.1907 1
Brugia malayi hypothetical protein 0.0039 0.0564 0.1005
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0017 0.0205 0.0402
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0314 0.5096 1
Trichomonas vaginalis CAMK family protein kinase 0.0102 0.1598 0.2951
Echinococcus granulosus kelch ECH associated protein 1 0.0102 0.1598 0.3038
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0314 0.5096 1
Brugia malayi hypothetical protein 0.0029 0.0409 0.0729
Trypanosoma cruzi UEV domain/Zinc finger, C3HC4 type (RING finger), putative 0.0013 0.0134 0.07
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0382 0.2002
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0314 0.5096 1
Toxoplasma gondii isocitrate dehydrogenase 0.0017 0.0205 0.5366
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0102 0.1598 0.3039
Brugia malayi tumor suppressor. 0.0346 0.5614 1
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.012 0.1907 1
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.012 0.1907 1
Trichomonas vaginalis CAMK family protein kinase 0.0102 0.1598 0.2951
Schistosoma mansoni tsg101-related 0.0062 0.0952 0.5939
Loa Loa (eye worm) hypothetical protein 0.0028 0.0382 0.068
Loa Loa (eye worm) hypothetical protein 0.0324 0.5259 0.9367
Loa Loa (eye worm) TAR-binding protein 0.0069 0.107 0.1905
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.012 0.1907 1
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0012 0.0131 0.025
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0012 0.0131 0.025
Trichomonas vaginalis CAMK family protein kinase 0.005 0.0755 0.1252
Trypanosoma cruzi UEV domain/Zinc finger, C3HC4 type (RING finger), putative 0.0013 0.0134 0.07
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0102 0.1598 0.2847
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.012 0.1907 1
Schistosoma mansoni transcription factor LCR-F1 0.0039 0.0564 0.352
Entamoeba histolytica hypothetical protein 0.0039 0.0564 0.0867
Trypanosoma cruzi UEV domain/Zinc finger, C3HC4 type (RING finger), putative 0.0013 0.0134 0.07
Trypanosoma cruzi Vps23 core domain containing protein, putative 0.0024 0.0321 0.1684
Trypanosoma brucei variant surface glycoprotein (VSG), putative 0.012 0.1907 1
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0017 0.0205 0.039
Schistosoma mansoni hypothetical protein 0.0102 0.1602 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0314 0.5096 1
Trypanosoma cruzi calpain cysteine peptidase, putative 0.012 0.1907 1
Schistosoma mansoni hypothetical protein 0.0039 0.0564 0.352
Echinococcus multilocularis kelch ECH associated protein 1 0.0102 0.1598 0.3038
Trichomonas vaginalis CAMK family protein kinase 0.0102 0.1598 0.2951
Trypanosoma brucei Vps23 core domain containing protein, putative 0.0024 0.0321 0.1058
Brugia malayi Temporarily assigned gene name protein 44 0.0029 0.0409 0.0729
Schistosoma mansoni kinase 0.0052 0.0777 0.4847
Trypanosoma cruzi UEV domain/Zinc finger, C3HC4 type (RING finger), putative 0.0013 0.0134 0.07
Schistosoma mansoni tsg101-related 0.0062 0.0952 0.5939
Leishmania major hypothetical protein, conserved 0.0028 0.0382 0.2002
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0205 0.039
Loa Loa (eye worm) isocitrate dehydrogenase 0.0017 0.0205 0.0365
Trypanosoma brucei polo-like protein kinase 0.0102 0.1598 0.826
Trypanosoma cruzi hypothetical protein, conserved 0.0013 0.0134 0.07
Echinococcus granulosus protein quaking 0.0029 0.0409 0.0778
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.012 0.1907 1
Onchocerca volvulus 0.0162 0.26 1
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0017 0.0205 0.0205
Entamoeba histolytica hypothetical protein 0.0039 0.0564 0.0867
Echinococcus multilocularis muscleblind protein 0.0324 0.5259 1
Trichomonas vaginalis CAMK family protein kinase 0.0102 0.1598 0.2951
Loa Loa (eye worm) tumor suppressor 0.0346 0.5614 1
Mycobacterium tuberculosis UDP-galactopyranose mutase Glf (UDP-GALP mutase) (NAD+-flavin adenine dinucleotide-requiring enzyme) 0.0612 1 1
Trypanosoma cruzi UEV domain/Zinc finger, C3HC4 type (RING finger), putative 0.0013 0.0134 0.07
Echinococcus granulosus kelch ECH associated protein 1 like 0.0102 0.1598 0.3038
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0017 0.0205 0.1074
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0017 0.0205 0.1074
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0382 1
Brugia malayi Muscleblind-like protein 0.0324 0.5259 0.9367
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0017 0.0205 0.1074
Echinococcus granulosus tar DNA binding protein 0.0069 0.107 0.2034
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0154 0.2452 0.2452
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0017 0.0205 0.0402
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.012 0.1907 1
Schistosoma mansoni tar DNA-binding protein 0.0069 0.107 0.6674
Trypanosoma cruzi UEV domain/Zinc finger, C3HC4 type (RING finger), putative 0.0013 0.0134 0.07
Loa Loa (eye worm) hypothetical protein 0.0324 0.5259 0.9367
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.012 0.1907 1
Schistosoma mansoni hypothetical protein 0.0029 0.0409 0.2551
Treponema pallidum fructose-bisphosphate aldolase 0.0314 0.5096 0.5
Schistosoma mansoni hypothetical protein 0.0029 0.0409 0.2551
Brugia malayi serine/threonine-protein kinase plk-2 0.0102 0.1598 0.2847
Echinococcus multilocularis protein quaking 0.0029 0.0409 0.0778
Brugia malayi hypothetical protein 0.0162 0.26 0.4631
Brugia malayi Isocitrate dehydrogenase 0.0017 0.0205 0.0365
Trypanosoma cruzi polo-like protein kinase, putative 0.0102 0.1598 0.8382
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0205 0.039
Entamoeba histolytica hypothetical protein 0.0039 0.0564 0.0867
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0314 0.5096 1
Trypanosoma cruzi UEV domain/Zinc finger, C3HC4 type (RING finger), putative 0.0013 0.0134 0.07
Trichomonas vaginalis CAMK family protein kinase 0.005 0.0755 0.1252
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0102 0.1598 0.8382
Toxoplasma gondii isocitrate dehydrogenase 0.0017 0.0205 0.5366
Giardia lamblia Fructose-bisphosphate aldolase 0.0314 0.5096 1
Trypanosoma cruzi UEV domain/Zinc finger, C3HC4 type (RING finger), putative 0.0013 0.0134 0.07
Onchocerca volvulus Serine\/threonine kinase homolog 0.0102 0.1598 0.6147
Trichomonas vaginalis CAMK family protein kinase 0.0102 0.1598 0.2951
Trypanosoma brucei calpain, putative 0.012 0.1907 1
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0154 0.2452 0.2452
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0017 0.0205 0.5366
Echinococcus multilocularis Kelch repeat type 1 0.0102 0.1602 0.3047
Echinococcus multilocularis tumor susceptibility gene 101 protein 0.0075 0.1157 0.2201
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0154 0.2452 0.2452
Echinococcus granulosus hypothetical protein 0.0029 0.0409 0.0778
Trypanosoma cruzi UEV domain/Zinc finger, C3HC4 type (RING finger), putative 0.0013 0.0134 0.07
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0314 0.5096 1
Schistosoma mansoni tar DNA-binding protein 0.0069 0.107 0.6674
Schistosoma mansoni tar DNA-binding protein 0.0069 0.107 0.6674
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0017 0.0205 0.039
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.012 0.1907 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.0409 0.0729
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0314 0.5096 1
Brugia malayi isocitrate dehydrogenase 0.0017 0.0205 0.0365
Trypanosoma cruzi UEV domain/Zinc finger, C3HC4 type (RING finger), putative 0.0013 0.0134 0.07
Plasmodium vivax ataxin-2 like protein, putative 0.0028 0.0382 1
Trichomonas vaginalis CAMK family protein kinase 0.0102 0.1598 0.2951
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.012 0.1907 1
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0017 0.0205 0.5366
Echinococcus multilocularis tar DNA binding protein 0.0069 0.107 0.2034
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0017 0.0205 0.1278
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.012 0.1907 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0039 0.0564 0.1073
Trypanosoma brucei hypothetical protein 0.012 0.1907 1
Schistosoma mansoni serine/threonine protein kinase 0.0102 0.1598 0.9973
Schistosoma mansoni tar DNA-binding protein 0.0069 0.107 0.6674
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0314 0.5096 1
Echinococcus granulosus muscleblind protein 0.0324 0.5259 1
Trichomonas vaginalis CAMK family protein kinase 0.0102 0.1598 0.2951
Trypanosoma cruzi UEV domain/Zinc finger, C3HC4 type (RING finger), putative 0.0013 0.0134 0.07
Entamoeba histolytica tumor susceptibility gene 101 protein, putative 0.0051 0.0764 0.1271

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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