Detailed information for compound 1442112

Basic information

Technical information
  • TDR Targets ID: 1442112
  • Name: 2-[5-amino-4-(3-pyridin-4-yl-1,2,4-oxadiazol- 5-yl)triazol-1-yl]-N-phenylacetamide
  • MW: 362.345 | Formula: C17H14N8O2
  • H donors: 2 H acceptors: 6 LogP: 0.85 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Cn1nnc(c1N)c1onc(n1)c1ccncc1)Nc1ccccc1
  • InChi: 1S/C17H14N8O2/c18-15-14(17-21-16(23-27-17)11-6-8-19-9-7-11)22-24-25(15)10-13(26)20-12-4-2-1-3-5-12/h1-9H,10,18H2,(H,20,26)
  • InChiKey: PMURIQWLQFSLNP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[5-amino-4-[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]-N-phenyl-acetamide
  • 2-[5-amino-4-[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]-1-triazolyl]-N-phenylacetamide
  • 2-[5-amino-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-1,2,3-triazol-1-yl]-N-phenyl-ethanamide
  • NCGC00125017-01
  • E744-0112

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens parathyroid hormone 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K04588 secretin receptor, putative Get druggable targets OG5_139196 All targets in OG5_139196
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
Mycobacterium leprae PROBABLE POLYPRENYL-DIPHOSPHATE SYNTHASE GRCC1 (POLYPRENYL PYROPHOSPHATE SYNTHETASE) 0.0448 0.2646 1
Chlamydia trachomatis geranylgeranyl pyrophosphate synthase 0.0537 0.3254 0.5
Onchocerca volvulus Matrix metalloproteinase homolog 0.0136 0.052 0.4894
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0151 0.0619 0.0619
Onchocerca volvulus 0.0087 0.0184 0.1679
Mycobacterium tuberculosis Probable geranylgeranyl pyrophosphate synthetase IdsA2 (ggppsase) (GGPP synthetase) (geranylgeranyl diphosphate synthase) 0.1524 1 1
Mycobacterium tuberculosis Possible polyprenyl synthetase IdsB (polyprenyl transferase) (polyprenyl diphosphate synthase) 0.0537 0.3254 0.3185
Treponema pallidum octaprenyl-diphosphate synthase 0.062 0.3826 0.5
Loa Loa (eye worm) hypothetical protein 0.0061 0.0009 0.0009
Leishmania major polyprenyl synthase, putative 0.062 0.3826 0.2891
Loa Loa (eye worm) hypothetical protein 0.0151 0.0619 0.0619
Brugia malayi Matrixin family protein 0.0061 0.0009 0.0009
Loa Loa (eye worm) matrix metalloproteinase 0.0061 0.0009 0.0009
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.014 0.0542 0.0365
Leishmania major solanesyl-diphosphate synthase, putative 0.0448 0.2646 0.1532
Schistosoma mansoni hypothetical protein 0.0151 0.0619 0.0442
Schistosoma mansoni carbonic anhydrase-related 0.0151 0.0619 0.0442
Schistosoma mansoni farnesyl pyrophosphate synthase 0.1524 1 1
Schistosoma mansoni trans-prenyltransferase 0.0448 0.2646 0.2508
Trypanosoma cruzi polyprenyl synthase, putative 0.062 0.3826 0.2891
Toxoplasma gondii polyprenyl synthetase superfamily protein 0.0448 0.2646 0.2161
Trypanosoma cruzi solanesyl-diphosphate synthase 0.0448 0.2646 0.1532
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0253 0.1316 0.1153
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.0302 0.1649 0.1099
Loa Loa (eye worm) hypothetical protein 0.0151 0.0619 0.0619
Entamoeba histolytica bifunctional short chain isoprenyl diphosphate synthase, putative 0.0448 0.2646 0.5
Trichomonas vaginalis geranylgeranyl pyrophosphate synthase, putative 0.1524 1 0.5
Trypanosoma cruzi solanesyl-diphosphate synthase, putative 0.0448 0.2646 0.1532
Schistosoma mansoni glutathione synthetase 0.0448 0.2646 0.2508
Echinococcus multilocularis farnesyl pyrophosphate synthase 0.1524 1 1
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0253 0.1316 0.1153
Trypanosoma cruzi solanesyl-diphosphate synthase, putative 0.0448 0.2646 0.1532
Plasmodium vivax geranylgeranyl pyrophosphate synthase 0.1524 1 1
Mycobacterium tuberculosis Probable multifunctional geranylgeranyl pyrophosphate synthetase IdsA1 (GGPP synthetase) (ggppsase) (geranylgeranyl diphosphate 0.0537 0.3254 0.3185
Entamoeba histolytica geranylgeranyl pyrophosphate synthetase, putative 0.0448 0.2646 0.5
Echinococcus multilocularis geranylgeranyl pyrophosphate synthase 0.062 0.3826 0.3419
Loa Loa (eye worm) matrixin family protein 0.0136 0.052 0.052
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0253 0.1316 0.1316
Brugia malayi Matrixin family protein 0.0061 0.0009 0.0009
Echinococcus granulosus carbonic anhydrase II 0.0253 0.1316 0.0743
Trypanosoma cruzi farnesyl pyrophosphate synthase 0.1524 1 1
Trypanosoma brucei solanesyl-diphosphate synthase, putative 0.0448 0.2646 0.1532
Toxoplasma gondii polyprenyl synthetase superfamily protein 0.1524 1 1
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0151 0.0619 0.0619
Schistosoma mansoni geranylgeranyl pyrophosphate synthase 0.062 0.3826 0.371
Loa Loa (eye worm) hypothetical protein 0.0061 0.0009 0.0009
Trichomonas vaginalis geranylgeranyl diphosphate synthase, putative 0.1524 1 0.5
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0302 0.1649 0.1099
Loa Loa (eye worm) polyprenyl synthetase 0.1524 1 1
Trypanosoma brucei farnesyl pyrophosphate synthase 0.1524 1 1
Mycobacterium ulcerans polyprenyl synthetase IdsB 0.0537 0.3254 0.3185
Echinococcus granulosus farnesyl pyrophosphate synthase 0.1524 1 1
Brugia malayi Hemopexin family protein 0.0087 0.0184 0.0184
Loa Loa (eye worm) hypothetical protein 0.0075 0.01 0.01
Schistosoma mansoni carbonic anhydrase 0.0151 0.0619 0.0442
Echinococcus granulosus geranylgeranyl pyrophosphate synthase 0.062 0.3826 0.3419
Plasmodium falciparum geranylgeranyl pyrophosphate synthase, putative 0.1524 1 1
Echinococcus multilocularis carbonic anhydrase II 0.0253 0.1316 0.0743
Wolbachia endosymbiont of Brugia malayi geranylgeranyl pyrophosphate synthase 0.0537 0.3254 1
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0151 0.0619 0.0619
Entamoeba histolytica geranylgeranyl pyrophosphate synthase, putative 0.0448 0.2646 0.5
Brugia malayi geranylgeranyl pyrophosphate synthetase 0.062 0.3826 0.3826
Loa Loa (eye worm) polyprenyl synthetase 0.0448 0.2646 0.2646
Onchocerca volvulus Matrilysin homolog 0.0214 0.1054 1
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0151 0.0619 0.0619
Plasmodium falciparum octaprenyl pyrophosphate synthase 0.0448 0.2646 0.2161
Echinococcus multilocularis prenyl (decaprenyl) diphosphate synthase 0.0448 0.2646 0.2161
Mycobacterium ulcerans polyprenyl diphosphate synthetase, GrcC1 0.0448 0.2646 0.2572
Brugia malayi Matrixin family protein 0.0061 0.0009 0.0009
Brugia malayi Polyprenyl synthetase family protein 0.0448 0.2646 0.2646
Loa Loa (eye worm) hypothetical protein 0.0151 0.0619 0.0619
Mycobacterium ulcerans geranylgeranyl pyrophosphate synthase 0.1524 1 1
Giardia lamblia Farnesyl diphosphate synthase 0.1524 1 0.5
Trichomonas vaginalis geranylgeranyl pyrophosphate synthase, putative 0.1524 1 0.5
Loa Loa (eye worm) matrixin family protein 0.0227 0.1138 0.1138
Loa Loa (eye worm) hypothetical protein 0.014 0.0542 0.0542
Mycobacterium ulcerans geranylgeranyl pyrophosphate synthase 0.1524 1 1
Loa Loa (eye worm) geranylgeranyl pyrophosphate synthetase 0.062 0.3826 0.3826
Mycobacterium tuberculosis Probable polyprenyl-diphosphate synthase GrcC2 (polyprenyl pyrophosphate synthetase) 0.0448 0.2646 0.2572
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0151 0.0619 0.0619
Trypanosoma cruzi farnesyl pyrophosphate synthase, putative 0.1524 1 1
Schistosoma mansoni carbonic anhydrase-related 0.0151 0.0619 0.0442
Loa Loa (eye worm) carbonic anhydrase 3 0.0253 0.1316 0.1316
Brugia malayi Matrixin family protein 0.0061 0.0009 0.0009
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0075 0.01 0.01
Schistosoma mansoni carbonic anhydrase-related 0.0151 0.0619 0.0442
Echinococcus granulosus prenyl decaprenyl diphosphate synthase 0.0448 0.2646 0.2161
Echinococcus multilocularis decaprenyl diphosphate synthase subunit 1 0.0448 0.2646 0.2161
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0253 0.1316 0.1316
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0151 0.0619 0.0619
Trypanosoma cruzi polyprenyl synthase, putative 0.062 0.3826 0.2891
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0253 0.1316 0.1316
Echinococcus granulosus decaprenyl diphosphate synthase subunit 1 0.0448 0.2646 0.2161
Leishmania major farnesyl pyrophosphate synthase 0.1524 1 1
Brugia malayi Matrixin family protein 0.0227 0.1138 0.1138

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 15.8489 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 70.7946 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) = 89.1251 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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.
 
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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