Detailed information for compound 1420299

Basic information

Technical information
  • TDR Targets ID: 1420299
  • Name: 2-pyridin-4-yl-5-[(2-pyridin-4-yl-1,3-benzoxa zol-5-yl)oxy]-1,3-benzoxazole
  • MW: 406.393 | Formula: C24H14N4O3
  • H donors: 0 H acceptors: 4 LogP: 4.32 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: n1ccc(cc1)c1oc2c(n1)cc(cc2)Oc1ccc2c(c1)nc(o2)c1ccncc1
  • InChi: 1S/C24H14N4O3/c1-3-21-19(27-23(30-21)15-5-9-25-10-6-15)13-17(1)29-18-2-4-22-20(14-18)28-24(31-22)16-7-11-26-12-8-16/h1-14H
  • InChiKey: SDQTYRHIFVRDTK-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-(4-pyridyl)-5-[[2-(4-pyridyl)-1,3-benzoxazol-5-yl]oxy]-1,3-benzoxazole
  • SMR000020476
  • MLS000085541

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens hydroxysteroid (17-beta) dehydrogenase 10 Starlite/ChEMBL No references
Homo sapiens thyroid stimulating hormone receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania braziliensis 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II Get druggable targets OG5_129031 All targets in OG5_129031
Schistosoma japonicum ko:K00022 3-hydroxyacyl-CoA dehydrogenase [EC1.1.1.35], putative Get druggable targets OG5_129031 All targets in OG5_129031
Cryptosporidium parvum scully CG7113-PA, putative Get druggable targets OG5_129031 All targets in OG5_129031
Mycobacterium ulcerans short-chain type dehydrogenase/reductase Get druggable targets OG5_129031 All targets in OG5_129031
Leishmania donovani 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 Get druggable targets OG5_129031 All targets in OG5_129031
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 Get druggable targets OG5_129031 All targets in OG5_129031
Loa Loa (eye worm) follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Brugia malayi follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Leishmania mexicana 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II Get druggable targets OG5_129031 All targets in OG5_129031
Cryptosporidium hominis scully CG7113-PA Get druggable targets OG5_129031 All targets in OG5_129031
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase Get druggable targets OG5_129031 All targets in OG5_129031
Leishmania infantum 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase Get druggable targets OG5_129031 All targets in OG5_129031
Mycobacterium ulcerans short-chain type dehydrogenase/reductase Get druggable targets OG5_129031 All targets in OG5_129031

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum 3-oxoacyl-[acyl-carrier-protein] reductase hydroxysteroid (17-beta) dehydrogenase 10 252 aa 251 aa 24.7 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Loa Loa (eye worm) short chain dehydrogenase/reductase family oxidoreductase 0.0024 0.0052 0.0052
Brugia malayi maoC like domain containing protein 0.0039 0.0314 0.0314
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0162 0.2535 1
Mycobacterium ulcerans dehydratase 0.0039 0.0314 0.1054
Loa Loa (eye worm) follicle stimulating hormone receptor 0.028 0.4661 0.4661
Leishmania major phosphopantetheinyl transferase-like protein 0.0162 0.2535 1
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0162 0.2535 1
Mycobacterium tuberculosis Probable 3-hydroxyacyl-thioester dehydratase HtdY 0.0039 0.0314 0.1054
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0162 0.2535 0.5
Onchocerca volvulus 0.0576 1 1
Brugia malayi follicle stimulating hormone receptor 0.028 0.4661 0.4661
Loa Loa (eye worm) hypothetical protein 0.0039 0.0314 0.0314
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0071 0.0892 0.3381
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0162 0.2535 0.5
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0065 0.078 0.078
Echinococcus granulosus L aminoadipate semialdehyde 0.0576 1 1
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0162 0.2535 0.5
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0071 0.0892 0.3381
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0162 0.2535 0.5
Mycobacterium leprae conserved hypothetical protein 0.0162 0.2535 0.5
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0162 0.2535 0.5
Toxoplasma gondii sterol carrier protein-2 HAD-2SCP-2 0.0039 0.0326 0.1151
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0162 0.2535 1
Entamoeba histolytica hypothetical protein 0.0162 0.2535 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0024 0.0052 0.0052
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0071 0.0892 0.3381
Loa Loa (eye worm) hypothetical protein 0.0576 1 1
Mycobacterium ulcerans hypothetical protein 0.0039 0.0314 0.1054
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0071 0.0892 0.0892
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0162 0.2535 1
Trypanosoma brucei hypothetical protein, conserved 0.0162 0.2535 0.5
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.0162 0.2535 1
Echinococcus multilocularis L aminoadipate semialdehyde 0.0576 1 1
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0576 1 1
Mycobacterium tuberculosis Probable dehydrogenase. Possible 2-enoyl acyl-CoA hydratase. 0.0039 0.0314 0.1054

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 2.5119 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293. (Class of assay: confirmatory) 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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