Detailed information for compound 1436729

Basic information

Technical information
  • TDR Targets ID: 1436729
  • Name: (4E)-4-[1-dimethylamino-2-(1,2,4-triazol-1-yl )ethylidene]-2-phenyl-1,3-oxazol-5-one
  • MW: 297.312 | Formula: C15H15N5O2
  • H donors: 0 H acceptors: 3 LogP: 1.53 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(/C(=C\1/N=C(OC1=O)c1ccccc1)/Cn1cncn1)C
  • InChi: 1S/C15H15N5O2/c1-19(2)12(8-20-10-16-9-17-20)13-15(21)22-14(18-13)11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3/b13-12+
  • InChiKey: GQBOXSXYNMCLPW-OUKQBFOZSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[1-dimethylamino-2-(1,2,4-triazol-1-yl)ethylidene]-2-phenyl-1,3-oxazol-5-one
  • (4E)-4-[1-dimethylamino-2-(1,2,4-triazol-1-yl)ethylidene]-2-phenyl-oxazol-5-one
  • 4-[1-dimethylamino-2-(1,2,4-triazol-1-yl)ethylidene]-2-phenyl-oxazol-5-one
  • (4E)-4-[1-dimethylamino-2-(1,2,4-triazol-1-yl)ethylidene]-2-phenyl-5-oxazolone
  • 4-[1-dimethylamino-2-(1,2,4-triazol-1-yl)ethylidene]-2-phenyl-5-oxazolone
  • ZINC04110029
  • 4-[(E)-1-(dimethylamino)-2-(1H-1,2,4-triazol-1-yl)ethylidene]-2-phenyl-1,3-oxazol-5(4H)-one
  • MLS000696373
  • SMR000337556
  • MS-3064

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Plasmodium vivax proteasome subunit beta type-5, putative 0.0685 1 1
Mycobacterium tuberculosis Proteasome beta subunit PrcB; assembles with alpha subunit PrcA. 0.0685 1 1
Plasmodium vivax proteasome subunit beta type-2, putative 0.0308 0.3546 0.3546
Loa Loa (eye worm) proteasome subunit beta type 1 0.0152 0.0868 0.0868
Trypanosoma brucei proteasome beta 6 subunit 0.0152 0.0868 0.0868
Schistosoma mansoni proteasome catalytic subunit 3 (T01 family) 0.0685 1 1
Echinococcus granulosus proteasome prosome macropain subunit beta 0.0152 0.0868 0.0868
Giardia lamblia Proteasome subunit beta type 1 0.0152 0.0868 0.0868
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0685 1 1
Trypanosoma cruzi proteasome beta 6 subunit, putative 0.0152 0.0868 0.0868
Entamoeba histolytica proteasome subunit beta type 1, putative 0.0152 0.0868 0.0868
Trypanosoma cruzi proteasome beta 6 subunit, putative 0.0152 0.0868 0.0868
Entamoeba histolytica probable proteasome subunit beta type 2, putative 0.0308 0.3546 0.3546
Toxoplasma gondii proteasome subunit beta type 1, putative 0.0152 0.0868 0.0868
Echinococcus multilocularis proteasome (prosome, macropain) 0.0685 1 1
Schistosoma mansoni proteasome subunit beta 2 (T01 family) 0.0308 0.3546 0.3546
Mycobacterium ulcerans proteasome PrcB 0.0685 1 1
Entamoeba histolytica proteasome subunit beta type 5 precursor, putative 0.0685 1 1
Echinococcus granulosus proteasome prosome macropain 0.0685 1 1
Plasmodium falciparum proteasome subunit beta type-5 0.0685 1 1
Plasmodium falciparum proteasome subunit beta type-1, putative 0.0152 0.0868 0.0868
Toxoplasma gondii proteasome subunit beta type 2, putative 0.0308 0.3546 0.3546
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0685 1 1
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0308 0.3546 0.3546
Brugia malayi proteasome subunit beta type 2 0.0308 0.3546 0.3546
Wolbachia endosymbiont of Brugia malayi ATP-dependent protease peptidase subunit 0.0101 0 0.5
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0685 1 1
Trypanosoma cruzi proteasome subunit beta type-2, putative 0.0308 0.3546 0.3546
Giardia lamblia Proteasome subunit beta type 2 0.0308 0.3546 0.3546
Echinococcus multilocularis proteasome (prosome, macropain) subunit, beta 0.0152 0.0868 0.0868
Onchocerca volvulus Notchless protein homolog 0.0101 0 0.5
Toxoplasma gondii proteasome subunit beta type, putative 0.0685 1 1
Schistosoma mansoni proteasome subunit beta 1 (T01 family) 0.0152 0.0868 0.0868
Trypanosoma brucei proteasome subunit beta type-2, putative 0.0308 0.3546 0.3546
Schistosoma mansoni proteasome subunit beta 2 (T01 family) 0.0308 0.3546 0.3546
Trypanosoma brucei proteasome subunit beta type-5, putative 0.0685 1 1
Echinococcus multilocularis proteasome (prosome, macropain) subunit, beta 0.0308 0.3546 0.3546
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0152 0.0868 0.0868
Leishmania major proteasome beta 6 subunit, putative,20S proteasome beta 6 subunit, putative 0.0152 0.0868 0.0868
Echinococcus granulosus proteasome prosome macropain subunit beta 0.0308 0.3546 0.3546
Giardia lamblia Proteasome subunit beta type 5 precursor 0.0685 1 1
Leishmania major proteasome beta 2 subunit, putative 0.0308 0.3546 0.3546
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.0685 1 1
Loa Loa (eye worm) proteasome subunit beta type 2 0.0308 0.3546 0.3546
Leishmania major proteasome beta 5 subunit, putative 0.0685 1 1
Plasmodium vivax proteasome subunit beta type-1, putative 0.0152 0.0868 0.0868
Brugia malayi proteasome subunit beta type 1 0.0152 0.0868 0.0868
Mycobacterium leprae proteasome (beta subunit) PrcB 0.0685 1 1
Plasmodium falciparum proteasome subunit beta type-2, putative 0.0308 0.3546 0.3546
Trypanosoma cruzi 20S proteasome subunit 0.0308 0.3546 0.3546
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0308 0.3546 0.3546

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.1623 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) 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) 18.526 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) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) [Related pubchem assays: 1379 ] 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) 44.6684 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] 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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