Detailed information for compound 1529043

Basic information

Technical information
  • TDR Targets ID: 1529043
  • Name: N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3- ethyl-5-methyl-1,2-oxazole-4-carboxamide
  • MW: 370.426 | Formula: C18H18N4O3S
  • H donors: 2 H acceptors: 4 LogP: 2.64 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1noc(c1C(=O)Nc1scc(n1)c1ccc(cc1)NC(=O)C)C
  • InChi: 1S/C18H18N4O3S/c1-4-14-16(10(2)25-22-14)17(24)21-18-20-15(9-26-18)12-5-7-13(8-6-12)19-11(3)23/h5-9H,4H2,1-3H3,(H,19,23)(H,20,21,24)
  • InChiKey: UJOURMLXNVQRTB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[4-(4-acetamidophenyl)thiazol-2-yl]-3-ethyl-5-methyl-isoxazole-4-carboxamide
  • N-[4-(4-acetamidophenyl)-2-thiazolyl]-3-ethyl-5-methyl-4-isoxazolecarboxamide
  • T5447177
  • ZINC06648255

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
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
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
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 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
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 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
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 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
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
Loa Loa (eye worm) hypothetical protein 0.0245 0.0996 0.0996
Plasmodium falciparum hexokinase 0.196 1 0.5
Schistosoma mansoni voltage-gated potassium channel 0.0056 0.0003 0.0003
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0082 0.0139 0.0139
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0056 0.0003 0.0003
Trypanosoma cruzi hexokinase, putative 0.196 1 0.5
Toxoplasma gondii hexokinase 0.196 1 0.5
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0282 0.1192 0.1192
Loa Loa (eye worm) hexokinase 0.196 1 1
Loa Loa (eye worm) hypothetical protein 0.0623 0.2982 0.2982
Echinococcus granulosus hexokinase 0.196 1 1
Brugia malayi Hexokinase family protein 0.0606 0.2894 0.2894
Echinococcus granulosus hexokinase 0.196 1 1
Trypanosoma brucei hexokinase, putative 0.196 1 0.5
Echinococcus granulosus hexokinase 0.196 1 1
Echinococcus granulosus potassium:sodium hyperpolarization activated 0.0056 0.0003 0.0003
Loa Loa (eye worm) hypothetical protein 0.0056 0.0003 0.0003
Echinococcus granulosus hyperpolarization activated cyclic 0.0056 0.0003 0.0003
Echinococcus multilocularis hyperpolarization activated cyclic 0.0056 0.0003 0.0003
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0056 0.0003 0.0003
Echinococcus multilocularis hyperpolarization activated cyclic 0.0056 0.0003 0.0003
Schistosoma mansoni voltage-gated potassium channel 0.0308 0.1328 0.1328
Onchocerca volvulus 0.196 1 1
Echinococcus multilocularis hexokinase 0.196 1 1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0282 0.1192 0.1192
Brugia malayi Hexokinase family protein 0.196 1 1
Echinococcus granulosus voltage gated potassium channel 0.0082 0.0139 0.0139
Schistosoma mansoni voltage-gated potassium channel 0.0082 0.0139 0.0139
Loa Loa (eye worm) hypothetical protein 0.0082 0.0139 0.0139
Treponema pallidum hexokinase (hxk) 0.196 1 0.5
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0056 0.0003 0.0003
Echinococcus granulosus hexokinase type 2 0.196 1 1
Echinococcus multilocularis potassium:sodium hyperpolarization activated 0.0056 0.0003 0.0003
Echinococcus multilocularis hexokinase 0.196 1 1
Loa Loa (eye worm) hexokinase type II 0.196 1 1
Trypanosoma brucei hexokinase 0.196 1 0.5
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0056 0.0003 0.0003
Entamoeba histolytica hexokinase 2 0.196 1 0.5
Leishmania major hexokinase, putative 0.196 1 0.5
Schistosoma mansoni hexokinase 0.196 1 1
Echinococcus multilocularis cyclic nucleotide gated cation channel alpha 3 0.0056 0.0003 0.0003
Leishmania major hexokinase, putative 0.196 1 0.5
Brugia malayi Hexokinase family protein 0.123 0.6166 0.6166
Onchocerca volvulus 0.196 1 1
Echinococcus multilocularis hexokinase 0.196 1 1
Echinococcus granulosus hyperpolarization activated cyclic 0.0056 0.0003 0.0003
Echinococcus multilocularis voltage gated potassium channel 0.0082 0.0139 0.0139
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0056 0.0003 0.0003
Plasmodium vivax hexokinase, putative 0.196 1 0.5
Schistosoma mansoni voltage-gated potassium channel 0.0308 0.1328 0.1328
Loa Loa (eye worm) hexokinase 0.123 0.6166 0.6166
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0056 0.0003 0.0003
Loa Loa (eye worm) hexokinase 0.0606 0.2894 0.2894
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0082 0.0139 0.0139
Trypanosoma cruzi hexokinase, putative 0.196 1 0.5
Onchocerca volvulus 0.196 1 1
Loa Loa (eye worm) hypothetical protein 0.0623 0.2982 0.2982
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0282 0.1192 0.1192
Schistosoma mansoni voltage-gated potassium channel 0.0082 0.0139 0.0139
Brugia malayi hexokinase type II 0.0623 0.2982 0.2982
Echinococcus multilocularis hexokinase type 2 0.196 1 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0264 0.1094 1
Loa Loa (eye worm) hexokinase 0.196 1 1
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0056 0.0003 0.0003
Trypanosoma brucei hexokinase 0.196 1 0.5
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0282 0.1192 0.1192
Brugia malayi Cyclic-nucleotide gated cation channel 0.0056 0.0003 0.0003
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0056 0.0003 0.0003
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0264 0.1094 1
Echinococcus granulosus cyclic nucleotide gated cation channel alpha 3 0.0056 0.0003 0.0003
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0056 0.0003 0.0003
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0056 0.0003 0.0003
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0082 0.0139 0.0139
Loa Loa (eye worm) hypothetical protein 0.1337 0.6728 0.6728
Entamoeba histolytica hexokinase 1 0.196 1 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.8184 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 4.6535 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) 11.6891 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) 12.5893 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) 23.0999 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that induce genotoxicity in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493106, AID493143] 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) 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) 39.8107 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 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
Homo sapiens 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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