Detailed information for compound 1424248

Basic information

Technical information
  • TDR Targets ID: 1424248
  • Name: [2-[(3,5-dichloro-4-methylpyridin-2-yl)amino] -2-oxoethyl] pyridine-4-carboxylate
  • MW: 340.161 | Formula: C14H11Cl2N3O3
  • H donors: 1 H acceptors: 4 LogP: 2.49 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ncc(c(c1Cl)C)Cl)COC(=O)c1ccncc1
  • InChi: 1S/C14H11Cl2N3O3/c1-8-10(15)6-18-13(12(8)16)19-11(20)7-22-14(21)9-2-4-17-5-3-9/h2-6H,7H2,1H3,(H,18,19,20)
  • InChiKey: MREUWFAOTAKQKP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • [2-[(3,5-dichloro-4-methyl-2-pyridyl)amino]-2-oxo-ethyl] pyridine-4-carboxylate
  • 4-pyridinecarboxylic acid [2-[(3,5-dichloro-4-methyl-2-pyridyl)amino]-2-oxoethyl] ester
  • isonicotinic acid [2-[(3,5-dichloro-4-methyl-2-pyridyl)amino]-2-keto-ethyl] ester
  • [2-[(3,5-dichloro-4-methyl-pyridin-2-yl)amino]-2-oxo-ethyl] pyridine-4-carboxylate
  • T5667576
  • ZINC03508980

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens Werner syndrome, RecQ helicase-like Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium falciparum ADP-dependent DNA helicase RecQ Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium knowlesi ATP-dependent DNA helicase Q1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trichomonas vaginalis DNA helicase recq, putative Get druggable targets OG5_126644 All targets in OG5_126644
Candida albicans DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum Bloom syndrome protein homolog, putative Get druggable targets OG5_126644 All targets in OG5_126644
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Echinococcus multilocularis ATP dependent DNA helicase Q5 Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni DNA helicase recq5 Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Neospora caninum hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus bloom syndrome protein Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma brucei gambiense ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Treponema pallidum ATP-dependent DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis bloom syndrome protein Get druggable targets OG5_126644 All targets in OG5_126644
Giardia lamblia Sgs1 DNA helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Neospora caninum hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Babesia bovis ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Trichomonas vaginalis DNA helicase recq, putative Get druggable targets OG5_126644 All targets in OG5_126644
Candida albicans DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis ATP dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium knowlesi ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Cryptosporidium hominis DEAD/DEAH box helicase Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) RecQ helicase Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium yoelii ATP-dependent DNA helicase recQ-related Get druggable targets OG5_126644 All targets in OG5_126644
Trichomonas vaginalis DNA helicase recq1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania infantum ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium berghei ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni blooms syndrome DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Entamoeba histolytica recQ family DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania donovani ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni DNA helicase recq1 Get druggable targets OG5_126644 All targets in OG5_126644
Theileria parva hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium falciparum ATP-dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Theileria parva DNA helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Entamoeba histolytica recQ family helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum ko:K03654 ATP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Cryptosporidium parvum RecQ bloom helicase (RNA helicase+hrdc) Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium yoelii ATP-dependent DNA helicase-related Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium berghei ATP-dependent DNA helicase Q1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania mexicana ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi Bloom's syndrome protein homolog Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) ATP-dependent DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania braziliensis ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus ATP dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Babesia bovis ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus ATP dependent DNA helicase Q5 Get druggable targets OG5_126644 All targets in OG5_126644
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) RecQ helicase 0.0029 0.0843 0.1449
Trichomonas vaginalis DNA helicase recq1, putative 0.0029 0.0843 0.4824
Brugia malayi beta-lactamase 0.0043 0.1376 0.2447
Loa Loa (eye worm) hypothetical protein 0.0043 0.1376 0.2447
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0012 0.0216 0.0993
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.1376 0.8772
Loa Loa (eye worm) transcription factor SMAD2 0.0117 0.4068 0.7485
Schistosoma mansoni Smad4 0.0008 0.0068 0.0187
Schistosoma mansoni hypothetical protein 0.0048 0.1559 0.4296
Loa Loa (eye worm) hypothetical protein 0.0012 0.0216 0.0277
Schistosoma mansoni hypothetical protein 0.0105 0.3628 1
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.1376 1
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.1376 1
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0012 0.0216 0.0277
Schistosoma mansoni DNA helicase recq5 0.0012 0.0216 0.0595
Onchocerca volvulus 0.0043 0.1376 0.5
Loa Loa (eye worm) hypothetical protein 0.0043 0.1376 0.2447
Trichomonas vaginalis DNA helicase recq, putative 0.0029 0.0843 0.4824
Loa Loa (eye worm) beta-lactamase 0.0043 0.1376 0.2447
Brugia malayi Calcitonin receptor-like protein seb-1 0.0153 0.5412 1
Schistosoma mansoni hypothetical protein 0.0048 0.1559 0.4296
Loa Loa (eye worm) hypothetical protein 0.0043 0.1376 0.2447
Mycobacterium leprae conserved hypothetical protein 0.0043 0.1376 0.5
Mycobacterium ulcerans beta-lactamase 0.0043 0.1376 0.5
Schistosoma mansoni smad1 5 8 and 0.0008 0.0068 0.0187
Schistosoma mansoni smad 0.0008 0.0068 0.0187
Onchocerca volvulus 0.0043 0.1376 0.5
Loa Loa (eye worm) hypothetical protein 0.0043 0.1376 0.2447
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0008 0.0068 0.0187
Schistosoma mansoni hypothetical protein 0.0048 0.1559 0.4296
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0153 0.5412 1
Onchocerca volvulus 0.0043 0.1376 0.5
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0012 0.0216 0.0993
Trichomonas vaginalis esterase, putative 0.0043 0.1376 1
Mycobacterium ulcerans lipase LipD 0.0043 0.1376 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.1376 1
Loa Loa (eye worm) hypothetical protein 0.0146 0.5147 0.9504
Mycobacterium leprae Probable lipase LipE 0.0043 0.1376 0.5
Echinococcus multilocularis bloom syndrome protein 0.0029 0.0843 0.5195
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.1376 0.2447
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.1376 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0048 0.1559 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.1376 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.1376 0.2447
Schistosoma mansoni blooms syndrome DNA helicase 0.0023 0.0618 0.1703
Echinococcus granulosus GPCR family 2 0.0048 0.1559 1
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0025 0.0713 1
Toxoplasma gondii ABC1 family protein 0.0043 0.1376 1
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0012 0.0216 0.0993
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.1376 0.2447
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0012 0.0216 0.157
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0012 0.0216 0.0993
Brugia malayi Bloom's syndrome protein homolog 0.0029 0.0843 0.1449
Loa Loa (eye worm) MH2 domain-containing protein 0.0117 0.4068 0.7485
Brugia malayi beta-lactamase family protein 0.0043 0.1376 0.2447
Brugia malayi beta-lactamase family protein 0.0043 0.1376 0.2447
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0153 0.5412 1
Brugia malayi Latrophilin receptor protein 2 0.0048 0.1559 0.279
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0012 0.0216 0.0277
Giardia lamblia Sgs1 DNA helicase, putative 0.0012 0.0216 0.5
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.1376 0.5
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.1376 0.8772
Echinococcus granulosus bloom syndrome protein 0.0029 0.0843 0.5195
Schistosoma mansoni smad1 5 8 and 0.0008 0.0068 0.0187
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0019 0.0488 0.355
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.1376 0.5
Brugia malayi MH2 domain containing protein 0.0117 0.4068 0.7485
Schistosoma mansoni hypothetical protein 0.0048 0.1559 0.4296
Leishmania major hypothetical protein, conserved 0.0043 0.1376 1
Schistosoma mansoni DNA helicase recq1 0.0012 0.0216 0.0595
Echinococcus multilocularis GPCR, family 2 0.0048 0.1559 1
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.1376 1
Treponema pallidum ATP-dependent DNA helicase 0.0006 0 0.5
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0048 0.1559 1
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.1376 1
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0012 0.0216 0.157
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0048 0.1559 1
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0012 0.0216 0.0277
Mycobacterium ulcerans hypothetical protein 0.0043 0.1376 0.5
Schistosoma mansoni smad1 5 8 and 0.0008 0.0068 0.0187
Loa Loa (eye worm) hypothetical protein 0.0105 0.3628 0.6663
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.1376 0.3792
Loa Loa (eye worm) latrophilin receptor protein 2 0.0048 0.1559 0.279
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.1376 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.1376 0.2447
Entamoeba histolytica recQ family helicase, putative 0.0015 0.0346 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.1559 0.279
Brugia malayi latrophilin 2 splice variant baaae 0.0105 0.3628 0.6663
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0048 0.1559 1
Loa Loa (eye worm) hypothetical protein 0.0153 0.5412 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0048 0.1559 0.279
Plasmodium vivax hypothetical protein, conserved 0.0043 0.1376 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.1376 0.3792

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.631 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 11.6891 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) 14.1254 uM PubChem BioAssay. qHTS for Inhibitors of WRN Helicase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) 29.0929 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] ChEMBL. No reference
Potency (functional) 29.9349 uM PubChem BioAssay. qHTS for Inhibitors of Polymerase Kappa: Confirmatory Assay for Cherry-picked Compounds. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 75.6863 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 125.8925 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.