Detailed information for compound 1520539

Basic information

Technical information
  • TDR Targets ID: 1520539
  • Name: 2-chloro-5-(2,5-dioxopyrrolidin-1-yl)-N-(6-me thylpyridin-2-yl)benzamide
  • MW: 343.764 | Formula: C17H14ClN3O3
  • H donors: 1 H acceptors: 4 LogP: 1.83 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1CCC(=O)N1c1ccc(c(c1)C(=O)Nc1cccc(n1)C)Cl
  • InChi: 1S/C17H14ClN3O3/c1-10-3-2-4-14(19-10)20-17(24)12-9-11(5-6-13(12)18)21-15(22)7-8-16(21)23/h2-6,9H,7-8H2,1H3,(H,19,20,24)
  • InChiKey: UTRVGZUOZQWIIG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-chloro-5-(2,5-dioxopyrrolidin-1-yl)-N-(6-methyl-2-pyridyl)benzamide
  • 2-chloro-5-(2,5-dioxo-1-pyrrolidinyl)-N-(6-methyl-2-pyridyl)benzamide
  • 2-chloro-N-(6-methyl-2-pyridyl)-5-succinimido-benzamide
  • 2-chloro-5-(2,5-dioxo-1-pyrrolidinyl)-N-(6-methyl-2-pyridinyl)benzamide
  • MLS000538933
  • SMR000144770
  • ZINC01070614

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
Schistosoma mansoni smad1 5 8 and 0.0008 0.0021 0.0021
Loa Loa (eye worm) hypothetical protein 0.0029 0.0273 0.0273
Echinococcus granulosus cytochrome B 0.0846 1 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0273 0.0244
Loa Loa (eye worm) hypothetical protein 0.0035 0.0345 0.0345
Brugia malayi Pre-SET motif family protein 0.0203 0.2345 0.2345
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0345 0.5
Schistosoma mansoni dep domain containing protein 0.0009 0.003 0.003
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0008 0.0021 0.011
Schistosoma mansoni Smad4 0.0008 0.0021 0.0021
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0009 0.003 0.003
Loa Loa (eye worm) hypothetical protein 0.0035 0.0345 0.0345
Echinococcus multilocularis segment polarity protein dishevelled 0.0009 0.003 0.0156
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0345 0.5
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0009 0.003 0.003
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0345 0.5
Brugia malayi beta-lactamase 0.0035 0.0345 0.0345
Loa Loa (eye worm) DIX domain-containing protein 0.0009 0.003 0.003
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0273 0.0273
Brugia malayi N-terminal motif family protein 0.0176 0.2024 0.2024
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0273 0.1442
Schistosoma mansoni z-protein (S1r protein) 0.0009 0.003 0.003
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0203 0.2345 0.2345
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0345 0.0345
Loa Loa (eye worm) hypothetical protein 0.0035 0.0345 0.0345
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0006 0 0.5
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.0273 0.1442
Brugia malayi regulator of G-protein signaling egl-10 0.0009 0.003 0.003
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0273 0.0273
Onchocerca volvulus 0.0035 0.0345 0.1287
Schistosoma mansoni fyve finger-containing phosphoinositide kinase fyv1 0.0009 0.003 0.003
Loa Loa (eye worm) hypothetical protein 0.0009 0.003 0.003
Echinococcus multilocularis geminin 0.0165 0.1896 1
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0006 0 0.5
Echinococcus granulosus TGF beta signal transducer SmadC 0.0008 0.0021 0.0021
Mycobacterium leprae Probable lipase LipE 0.0035 0.0345 0.5
Wolbachia endosymbiont of Brugia malayi cytochrome b subunit of the bc complex 0.0846 1 0.5
Mycobacterium ulcerans lipase LipD 0.0035 0.0345 0.5
Schistosoma mansoni smad 0.0008 0.0021 0.0021
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0261 0.0261
Echinococcus granulosus regulator of G protein signaling 7 0.0009 0.003 0.003
Onchocerca volvulus 0.0035 0.0345 0.1287
Schistosoma mansoni smad1 5 8 and 0.0008 0.0021 0.0021
Trichomonas vaginalis esterase, putative 0.0035 0.0345 0.1287
Schistosoma mansoni smad1 5 8 and 0.0008 0.0021 0.0021
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0009 0.003 0.003
Onchocerca volvulus 0.0231 0.2679 1
Schistosoma mansoni hypothetical protein 0.0165 0.1896 0.1896
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0345 0.0345
Toxoplasma gondii apocytochrome b, putative 0.0846 1 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0345 0.0345
Onchocerca volvulus Segment polarity protein dishevelled homolog 0.0009 0.003 0.0111
Brugia malayi hypothetical protein 0.0009 0.003 0.003
Brugia malayi Pre-SET motif family protein 0.0029 0.0273 0.0273
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0345 1
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0345 0.1287
Schistosoma mansoni hypothetical protein 0.0165 0.1896 0.1896
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0006 0 0.5
Echinococcus multilocularis regulator of G protein signaling 7 0.0009 0.003 0.0156
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0006 0 0.5
Mycobacterium ulcerans hypothetical protein 0.0035 0.0345 0.5
Schistosoma mansoni regulator of G protein signaling 0.0009 0.003 0.003
Echinococcus granulosus segment polarity protein dishevelled 0.0009 0.003 0.003
Onchocerca volvulus 0.0035 0.0345 0.1287
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0345 0.1287
Echinococcus multilocularis regulator of G protein signaling 7 0.0009 0.003 0.0156
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0006 0 0.5
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0345 0.0345
Plasmodium falciparum cytochrome b 0.0846 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0009 0.003 0.003
Loa Loa (eye worm) hypothetical protein 0.0009 0.003 0.003
Loa Loa (eye worm) beta-lactamase 0.0035 0.0345 0.0345
Loa Loa (eye worm) hypothetical protein 0.0176 0.2024 0.2024
Brugia malayi Smad1 0.0008 0.0021 0.0021
Loa Loa (eye worm) hypothetical protein 0.0035 0.0345 0.0345
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0345 0.1287
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0345 0.1819
Brugia malayi MH1 domain containing protein 0.0008 0.0021 0.0021
Mycobacterium ulcerans beta-lactamase 0.0035 0.0345 0.5
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0345 0.0345
Echinococcus granulosus Pleckstrin G protein interacting region 0.0009 0.003 0.003
Echinococcus multilocularis Pleckstrin G protein, interacting region 0.0009 0.003 0.0156
Echinococcus granulosus geminin 0.0165 0.1896 0.1896
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0345 0.0074
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0008 0.0021 0.0021
Brugia malayi MH2 domain containing protein 0.0008 0.0021 0.0021
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0006 0 0.5
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0006 0 0.5
Toxoplasma gondii ABC1 family protein 0.0035 0.0345 0.0316
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0273 0.0273
Echinococcus multilocularis Smad4 0.0008 0.0021 0.011
Loa Loa (eye worm) Smad1 0.0008 0.0021 0.0021
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0006 0 0.5
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0006 0 0.5
Entamoeba histolytica hypothetical protein 0.0006 0 0.5
Leishmania major hypothetical protein, conserved 0.0035 0.0345 0.5
Echinococcus granulosus mothers against decapentaplegic 5 0.0008 0.0021 0.0021
Loa Loa (eye worm) MH2 domain-containing protein 0.0008 0.0021 0.0021
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0345 0.5
Loa Loa (eye worm) MH1 domain-containing protein 0.0008 0.0021 0.0021
Toxoplasma gondii cytochrome b 0.0846 1 1
Echinococcus granulosus regulator of G protein signaling 7 0.0009 0.003 0.003
Loa Loa (eye worm) cytochrome b 0.0846 1 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0345 0.0345
Echinococcus granulosus segment polarity protein dishevelled 0.0009 0.003 0.003
Echinococcus multilocularis segment polarity protein dishevelled 0.0009 0.003 0.0156
Schistosoma mansoni cytochrome b 0.0846 1 1
Brugia malayi beta-lactamase family protein 0.0035 0.0345 0.0345
Loa Loa (eye worm) transcription factor SMAD2 0.0117 0.1314 0.1314
Brugia malayi DIX domain containing protein 0.0009 0.003 0.003
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0006 0 0.5
Schistosoma mansoni dishevelled 0.0009 0.003 0.003
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0006 0 0.5
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0006 0 0.5
Plasmodium vivax cytochrome b 0.0846 1 1
Echinococcus granulosus smad 0.0008 0.0021 0.0021
Onchocerca volvulus 0.0029 0.0273 0.102
Echinococcus granulosus Smad4 0.0008 0.0021 0.0021
Onchocerca volvulus 0.0009 0.003 0.0111
Brugia malayi hypothetical protein 0.0009 0.003 0.003
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0006 0 0.5
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0345 0.1287
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0273 0.0273
Brugia malayi MH1 domain containing protein 0.0008 0.0021 0.0021
Brugia malayi MH2 domain containing protein 0.0117 0.1314 0.1314
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0176 0.2024 0.7556
Echinococcus multilocularis smad 0.0008 0.0021 0.011
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0345 0.1287
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0225 0.2599 1
Schistosoma mansoni dishevelled 0.0009 0.003 0.003
Schistosoma mansoni cytochrome b 0.0846 1 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0117 0.1314 0.1314
Brugia malayi MH2 domain containing protein 0.0008 0.0021 0.0021
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0345 1
Echinococcus multilocularis mothers against decapentaplegic 5 0.0008 0.0021 0.011
Trichomonas vaginalis set domain proteins, putative 0.0231 0.2679 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0273 0.0273
Brugia malayi beta-lactamase family protein 0.0035 0.0345 0.0345
Loa Loa (eye worm) hypothetical protein 0.0035 0.0345 0.0345

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 28.18382931 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
IC50 (functional) > 50 uM PUBCHEM_BIOASSAY: Factor XIIa 1536 HTS Dose Response Confirmation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID800] ChEMBL. No reference
Potency (functional) 0.0738 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
Potency (functional) 0.0928 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 28.1838 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS of alpha-syn Inhibitors. (Class of assay: confirmatory) 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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