Detailed information for compound 1373192

Basic information

Technical information
  • TDR Targets ID: 1373192
  • Name: N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-y l)phenyl]thiophene-2-carboxamide
  • MW: 355.798 | Formula: C17H10ClN3O2S
  • H donors: 1 H acceptors: 3 LogP: 4.17 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1cccs1)Nc1cc(ccc1Cl)c1oc2c(n1)nccc2
  • InChi: 1S/C17H10ClN3O2S/c18-11-6-5-10(17-21-15-13(23-17)3-1-7-19-15)9-12(11)20-16(22)14-4-2-8-24-14/h1-9H,(H,20,22)
  • InChiKey: ZMNQUHFTHOOZCM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(2-chloro-5-oxazolo[4,5-b]pyridin-2-yl-phenyl)thiophene-2-carboxamide
  • N-[2-chloro-5-(2-oxazolo[4,5-b]pyridinyl)phenyl]-2-thiophenecarboxamide
  • ZINC04842220
  • STOCK6S-00216

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Equus caballus Ferritin light chain Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3G Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi thymidylate synthase 0.016 0.391 0.8407
Trypanosoma cruzi thymidylate kinase, putative 0.0141 0.3343 0.4615
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.016 0.391 1
Trypanosoma cruzi thymidylate kinase, putative 0.0141 0.3343 0.4615
Plasmodium vivax thymidylate kinase, putative 0.0141 0.3343 0.8402
Echinococcus granulosus thymidylate synthase 0.016 0.391 1
Entamoeba histolytica Thymidylate kinase, putative 0.0141 0.3343 0.494
Echinococcus granulosus thymidylate kinase 0.0141 0.3343 0.8439
Trypanosoma cruzi thymidine kinase, putative 0.0241 0.6377 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0381 0.0282
Loa Loa (eye worm) thymidylate kinase 0.0141 0.3343 0.7094
Echinococcus multilocularis thymidylate synthase 0.016 0.391 1
Trypanosoma brucei RNA helicase, putative 0.0361 1 1
Schistosoma mansoni thymidylate kinase 0.0141 0.3343 0.3152
Treponema pallidum thymidylate kinase (tmk) 0.0141 0.3343 0.5
Toxoplasma gondii thymidylate kinase 0.0141 0.3343 0.8402
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0381 0.0105
Onchocerca volvulus DNA polymerase alpha catalytic subunit homolog 0.0073 0.1265 0.2284
Echinococcus multilocularis thymidylate kinase 0.0141 0.3343 0.8439
Loa Loa (eye worm) thymidylate synthase 0.016 0.391 0.8407
Leishmania major thymidylate kinase-like protein 0.0141 0.3343 0.4615
Mycobacterium ulcerans thymidylate synthase 0.016 0.391 1
Echinococcus granulosus DNA polymerase alpha catalytic subunit 0.0053 0.0665 0.1064
Chlamydia trachomatis thymidylate kinase 0.0141 0.3343 0.5
Trypanosoma brucei thymidine kinase 0.0241 0.6377 0.6377
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.016 0.391 1
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.016 0.391 0.5621
Brugia malayi hypothetical protein 0.0182 0.4598 1
Brugia malayi hypothetical protein 0.0076 0.1369 0.2524
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0381 0.0282
Loa Loa (eye worm) hypothetical protein 0.0182 0.4598 1
Entamoeba histolytica thymidine kinase, putative 0.0241 0.6377 1
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.016 0.391 1
Schistosoma mansoni DNA polymerase alpha catalytic subunit 0.0053 0.0665 0.0398
Trichomonas vaginalis thymidylate kinase, putative 0.0141 0.3343 0.3942
Onchocerca volvulus 0.0182 0.4598 1
Trichomonas vaginalis thymidine kinase, putative 0.0241 0.6377 1
Trichomonas vaginalis thymidylate kinase, putative 0.0141 0.3343 0.3942
Loa Loa (eye worm) hypothetical protein 0.0073 0.1265 0.2284
Trypanosoma cruzi thymidine kinase, putative 0.0241 0.6377 1
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.016 0.391 1
Mycobacterium tuberculosis Thymidylate kinase Tmk (dTMP kinase) (thymidylic acid kinase) (TMPK) 0.0141 0.3343 0.7769
Schistosoma mansoni hypothetical protein 0.0141 0.3343 0.3152
Trypanosoma brucei thymidylate kinase, putative 0.0141 0.3343 0.3343
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.016 0.391 1
Giardia lamblia CDC8 0.0141 0.3343 0.4908
Wolbachia endosymbiont of Brugia malayi thymidylate kinase 0.0141 0.3343 0.5
Trichomonas vaginalis thymidine kinase, putative 0.0241 0.6377 1
Leishmania major thymidine kinase, putative 0.0241 0.6377 1
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.0076 0.1369 0.1111
Trichomonas vaginalis thymidine kinase, putative 0.0241 0.6377 1
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.016 0.391 0.391
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.016 0.391 0.3736
Schistosoma mansoni thymidylate kinase 0.0141 0.3343 0.3152
Brugia malayi hypothetical protein 0.0043 0.0381 0.0237
Leishmania major dihydrofolate reductase-thymidylate synthase 0.016 0.391 0.5621
Onchocerca volvulus 0.016 0.391 0.8407
Schistosoma mansoni hypothetical protein 0.0043 0.0381 0.0105
Trypanosoma brucei thymidylate kinase, putative 0.0141 0.3343 0.3343
Echinococcus multilocularis DNA polymerase alpha catalytic subunit 0.0053 0.0665 0.1064
Giardia lamblia Thymidine kinase 0.0241 0.6377 1
Brugia malayi DNA polymerase alpha catalytic subunit 0.0043 0.0362 0.0194
Brugia malayi thymidylate kinase 0.0141 0.3343 0.7094
Onchocerca volvulus Putative thymidylate kinase 0.0141 0.3343 0.7094

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 4.1095 uM PubChem BioAssay. qHTS of Nrf2 Activators: Hit Validation in Primary Assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.2213 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) 6.3096 uM PubChem BioAssay. qHTS of Nrf2 Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 13.1154 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) 15.1014 uM PubChem BioAssay. qHTS of Nrf2 Activators: Hit Validation in Secondary FLuc Assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 17.7828 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 17.7828 uM PubChem BioAssay. qHTS for Inhibitors of Vif-A3G Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 20.5962 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 21.3313 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) 28.1838 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) 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 Assay for Inhibitors of the HIV-1 protein Vpr. (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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