Detailed information for compound 1246192

Basic information

Technical information
  • TDR Targets ID: 1246192
  • Name: ethyl 2-[2-[(2-pyridin-4-ylquinoline-4-carbon yl)amino]-1,3-thiazol-4-yl]acetate
  • MW: 418.468 | Formula: C22H18N4O3S
  • H donors: 1 H acceptors: 5 LogP: 3.17 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)Cc1csc(n1)NC(=O)c1cc(nc2c1cccc2)c1ccncc1
  • InChi: 1S/C22H18N4O3S/c1-2-29-20(27)11-15-13-30-22(24-15)26-21(28)17-12-19(14-7-9-23-10-8-14)25-18-6-4-3-5-16(17)18/h3-10,12-13H,2,11H2,1H3,(H,24,26,28)
  • InChiKey: WPKCGPRECZUCFB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ethyl 2-[2-[[2-(4-pyridyl)quinoline-4-carbonyl]amino]thiazol-4-yl]acetate
  • 2-[2-[[oxo-[2-(4-pyridyl)-4-quinolyl]methyl]amino]-4-thiazolyl]acetic acid ethyl ester
  • 2-[2-[[2-(4-pyridyl)quinoline-4-carbonyl]amino]thiazol-4-yl]acetic acid ethyl ester
  • ethyl 2-[2-[(2-pyridin-4-ylquinolin-4-yl)carbonylamino]-1,3-thiazol-4-yl]ethanoate
  • Oprea1_647419
  • T0505-3623

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens snurportin 1 No references
Homo sapiens karyopherin (importin) beta 1 No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium vivax importin-beta 2, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Snurportin-1, putative Get druggable targets OG5_131808 All targets in OG5_131808
Cryptosporidium parvum importin/karyopherin Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Importin subunit beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis importin beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi RNA, U transporter 1 Get druggable targets OG5_131808 All targets in OG5_131808
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium berghei importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania braziliensis importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania donovani importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Babesia bovis importin beta subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Theileria parva importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania major importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium knowlesi importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Cryptosporidium hominis importin-beta2 Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi Importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma cruzi importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Schistosoma mansoni hypothetical protein Get druggable targets OG5_131808 All targets in OG5_131808
Trypanosoma brucei gambiense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma congolense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Neospora caninum hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Importin subunit beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) nucleolar RNA-associated protein alpha Get druggable targets OG5_131808 All targets in OG5_131808
Echinococcus granulosus importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania mexicana importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni importin beta-1 Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium yoelii importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania infantum importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium falciparum importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Toxoplasma gondii HEAT repeat-containing protein Get druggable targets OG5_127843 All targets in OG5_127843
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni hypothetical protein 0.0153 0.2838 0.2838
Brugia malayi Integrin alpha cytoplasmic region family protein 0.0112 0.1496 0.2418
Echinococcus multilocularis snurportin 1 0.0372 1 1
Loa Loa (eye worm) hypothetical protein 0.0112 0.1496 0.1046
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0153 0.2838 0.5
Echinococcus multilocularis tissue type plasminogen activator 0.0153 0.2838 0.2838
Loa Loa (eye worm) TK/ROR protein kinase 0.0153 0.2838 0.246
Echinococcus granulosus geminin 0.0205 0.4527 0.4527
Echinococcus granulosus integrin alpha 3 0.0114 0.1545 0.1545
Schistosoma mansoni integrin alpha 0.0148 0.2678 0.2678
Schistosoma mansoni hypothetical protein 0.0205 0.4527 0.4527
Echinococcus multilocularis integrin alpha 3 0.0114 0.1545 0.1545
Toxoplasma gondii PAN domain-containing protein 0.0308 0.7909 1
Leishmania major hypothetical protein, conserved 0.0153 0.2838 0.5
Toxoplasma gondii PAN domain-containing protein 0.0308 0.7909 1
Echinococcus granulosus tissue type plasminogen activator 0.0153 0.2838 0.2838
Loa Loa (eye worm) hypothetical protein 0.0116 0.1635 0.1193
Plasmodium falciparum cysteine repeat modular protein 1 0.0153 0.2838 0.5
Onchocerca volvulus 0.0153 0.2838 0.5
Loa Loa (eye worm) integrin alpha pat-2 0.0228 0.5306 0.5058
Schistosoma mansoni hypothetical protein 0.0372 1 1
Brugia malayi Integrin alpha pat-2 precursor 0.0148 0.2678 0.9096
Brugia malayi Kringle domain containing protein 0.0153 0.2838 1
Echinococcus multilocularis geminin 0.0205 0.4527 0.4527
Loa Loa (eye worm) hypothetical protein 0.0153 0.2838 0.246
Trypanosoma cruzi hypothetical protein, conserved 0.0153 0.2838 0.5
Schistosoma mansoni hypothetical protein 0.0205 0.4527 0.4527
Brugia malayi Protein kinase domain containing protein 0.0153 0.2838 1
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0372 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.4147 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) 1.636 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.0795 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
Potency (functional) 18.526 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) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.081 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 56.2341 uM PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the Phosphatase Activity of Eya2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488939] 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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