Detailed information for compound 1322132

Basic information

Technical information
  • TDR Targets ID: 1322132
  • Name: 4-tert-butyl-N-[8-(2-nitrophenyl)-[1,3]thiazo lo[4,5-e][1,2]benzoxazol-2-yl]benzamide
  • MW: 472.516 | Formula: C25H20N4O4S
  • H donors: 1 H acceptors: 5 LogP: 6.49 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc(cc1)C(C)(C)C)Nc1sc2c(n1)c1c(cc2)onc1c1ccccc1[N+](=O)[O-]
  • InChi: 1S/C25H20N4O4S/c1-25(2,3)15-10-8-14(9-11-15)23(30)27-24-26-22-19(34-24)13-12-18-20(22)21(28-33-18)16-6-4-5-7-17(16)29(31)32/h4-13H,1-3H3,(H,26,27,30)
  • InChiKey: BCKWUQANYXTJOR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-tert-butyl-N-[8-(2-nitrophenyl)thiazolo[4,5-e][1,2]benzoxazol-2-yl]benzamide
  • 4-tert-butyl-N-[8-(2-nitrophenyl)-2-thiazolo[4,5-e][1,2]benzoxazolyl]benzamide
  • 4-tert-butyl-N-[8-(2-nitrophenyl)thiazolo[4,5-e]indoxazen-2-yl]benzamide
  • MLS000877599
  • SMR000463854

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0078 0.0078
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0078 0.0078
Schistosoma mansoni hypothetical protein 0.0036 0.0031 0.0031
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0036 0.0031 0.0031
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0113 0.0219 0.0219
Brugia malayi Calcitonin receptor-like protein seb-1 0.0113 0.0219 0.0219
Giardia lamblia DINP protein human, muc B family 0.0023 0 0.5
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0036 0.0031 0.0031
Schistosoma mansoni hypothetical protein 0.0205 0.0441 0.0441
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0047 0.0059 0.0768
Echinococcus granulosus GPCR family 2 0.0036 0.0031 0.0031
Loa Loa (eye worm) hypothetical protein 0.0078 0.0132 0.0132
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0337 0.0763 1
Echinococcus granulosus MAP kinase activated protein kinase 2 0.4132 1 1
Brugia malayi hypothetical protein 0.0098 0.0183 0.0183
Brugia malayi latrophilin 2 splice variant baaae 0.0078 0.0132 0.0132
Echinococcus multilocularis MAP kinase activated protein kinase 2 0.4132 1 1
Echinococcus granulosus geminin 0.0205 0.0441 0.0441
Mycobacterium tuberculosis Conserved hypothetical protein 0.0178 0.0375 1
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.016 0.0331 0.4341
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0036 0.0031 0.0031
Brugia malayi Latrophilin receptor protein 2 0.0036 0.0031 0.0031
Schistosoma mansoni hypothetical protein 0.0036 0.0031 0.0031
Loa Loa (eye worm) hypothetical protein 0.0098 0.0183 0.0183
Trichomonas vaginalis DNA polymerase eta, putative 0.0023 0 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0078 0.0078
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.016 0.0331 0.4341
Loa Loa (eye worm) camk/mapkapk/mapkapk protein kinase 0.4132 1 1
Schistosoma mansoni hypothetical protein 0.0205 0.0441 0.0441
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0337 0.0763 1
Schistosoma mansoni hypothetical protein 0.0036 0.0031 0.0031
Loa Loa (eye worm) latrophilin receptor protein 2 0.0036 0.0031 0.0031
Loa Loa (eye worm) hypothetical protein 0.0113 0.0219 0.0219
Echinococcus multilocularis geminin 0.0205 0.0441 0.0441
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0047 0.0059 0.0768
Loa Loa (eye worm) hypothetical protein 0.0098 0.0183 0.0183
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0113 0.0219 0.0219
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0078 0.0078
Echinococcus multilocularis GPCR, family 2 0.0036 0.0031 0.0031
Schistosoma mansoni serine/threonine protein kinase 0.4132 1 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0337 0.0763 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0036 0.0031 0.0031
Leishmania major mitochondrial DNA polymerase beta 0.0337 0.0763 1
Entamoeba histolytica deoxycytidyl transferase, putative 0.0023 0 0.5
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0036 0.0031 0.0031
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0047 0.0059 0.0768
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0023 0 0.5
Mycobacterium ulcerans hypothetical protein 0.0178 0.0375 1
Schistosoma mansoni hypothetical protein 0.0036 0.0031 0.0031
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.016 0.0331 0.4341
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0058 0.0084 0.1098
Schistosoma mansoni hypothetical protein 0.0078 0.0132 0.0132
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0078 0.0078
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0078 0.0078
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0047 0.0059 0.0768
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0078 0.0078
Schistosoma mansoni eyes absent homolog 0.0098 0.0183 0.0183
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0078 0.0078
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0078 0.0078
Loa Loa (eye worm) hypothetical protein 0.0036 0.0031 0.0031
Toxoplasma gondii hypothetical protein 0.0054 0.0076 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 7.3753 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) 7.3753 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) 39.8107 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (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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