Detailed information for compound 1651295

Basic information

Technical information
  • TDR Targets ID: 1651295
  • Name: 3-[[2-[[5-(4-acetamidophenyl)-1,3,4-oxadiazol -2-yl]sulfanyl]acetyl]amino]-N-hydroxybenzene amine oxide
  • MW: 413.407 | Formula: C18H15N5O5S
  • H donors: 2 H acceptors: 6 LogP: 2.17 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1cccc(c1)[N+](=O)[O-])CSc1nnc(o1)c1ccc(cc1)NC(=O)C
  • InChi: 1S/C18H15N5O5S/c1-11(24)19-13-7-5-12(6-8-13)17-21-22-18(28-17)29-10-16(25)20-14-3-2-4-15(9-14)23(26)27/h2-9H,10H2,1H3,(H,19,24)(H,20,25)
  • InChiKey: XEVHPUJPPIXGEM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[4-[5-[2-[(3-nitrophenyl)amino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]phenyl]acetamide
  • 2-[[5-(4-acetamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[3-(hydroxy-oxidoamino)phenyl]acetamide
  • 2-[[5-(4-acetamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[3-(hydroxy-oxido-amino)phenyl]acetamide
  • N-[4-[5-[2-[(3-nitrophenyl)amino]-2-oxo-ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]phenyl]acetamide
  • 3-[[2-[[5-(4-acetamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-N-hydroxy-benzeneamine oxide
  • 2-[[5-(4-acetamidophenyl)-1,3,4-oxadiazol-2-yl]thio]-N-[3-(hydroxy-oxidoamino)phenyl]acetamide
  • 3-[[2-[[5-(4-acetamidophenyl)-1,3,4-oxadiazol-2-yl]thio]-1-oxoethyl]amino]-N-hydroxybenzeneamine oxide
  • N-[4-[5-[[2-[(3-nitrophenyl)amino]-2-oxoethyl]thio]-1,3,4-oxadiazol-2-yl]phenyl]acetamide
  • 2-[[5-(4-acetamidophenyl)-1,3,4-oxadiazol-2-yl]thio]-N-[3-(hydroxy-oxido-amino)phenyl]acetamide
  • 3-[[2-[[5-(4-acetamidophenyl)-1,3,4-oxadiazol-2-yl]thio]acetyl]amino]-N-hydroxy-benzeneamine oxide
  • N-[4-[5-[[2-keto-2-[(3-nitrophenyl)amino]ethyl]thio]-1,3,4-oxadiazol-2-yl]phenyl]acetamide
  • 2-[[5-(4-acetamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[3-(hydroxy-oxido-amino)phenyl]ethanamide
  • 3-[2-[[5-(4-acetamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanoylamino]-N-hydroxy-benzeneamine oxide
  • N-[4-[5-[2-[(3-nitrophenyl)amino]-2-oxo-ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]phenyl]ethanamide
  • 2-((5-(4-(Acetylamino)phenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(3-(hydroxy(oxido)amino)phenyl)acetamide
  • AIDS-140856
  • AIDS140856
  • NSC654786
  • NCI60_018932

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
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0038 0.3373 0.5
Brugia malayi Bromodomain containing protein 0.0038 0.3378 0.2673
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0022 0.0535 0.0739
Loa Loa (eye worm) hypothetical protein 0.004 0.3818 0.4014
Echinococcus granulosus fetal alzheimer antigen falz 0.0022 0.0535 0.0739
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0034 0.265 0.5
Loa Loa (eye worm) inositol-1 0.0038 0.3373 0.3522
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0038 0.3373 0.5
Loa Loa (eye worm) hypothetical protein 0.0042 0.4163 0.4395
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0034 0.265 0.5
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0059 0.724 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.3373 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.2617 0.183
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0022 0.0535 0.0679
Loa Loa (eye worm) hypothetical protein 0.007 0.9228 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.5463 0.4979
Loa Loa (eye worm) hypothetical protein 0.0049 0.5463 0.5833
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0059 0.724 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.3391 0.3541
Brugia malayi Inositol-1 0.0038 0.3373 0.2668
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0036 0.2951 0.4076
Trichomonas vaginalis inositol monophosphatase, putative 0.0038 0.3373 0.5
Schistosoma mansoni inositol monophosphatase 0.0038 0.3373 0.4278
Loa Loa (eye worm) hypothetical protein 0.0034 0.2617 0.2684
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0038 0.3373 0.5
Schistosoma mansoni hypothetical protein 0.002 0.0191 0.0242
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.5463 0.4979
Schistosoma mansoni bromodomain containing protein 0.0063 0.7886 1
Schistosoma mansoni inositol monophosphatase 0.0038 0.3373 0.4278
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0036 0.2951 0.4076
Schistosoma mansoni hypothetical protein 0.0034 0.2617 0.3318
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0038 0.3373 0.5
Echinococcus granulosus inositol monophosphatase 1 0.0038 0.3373 0.4659
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0038 0.3373 0.5
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.3373 0.5
Echinococcus multilocularis inositol monophosphatase 1 0.0038 0.3373 0.4659
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0038 0.3373 0.5
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.3373 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.5463 0.5833
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.3373 0.5

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -5.29 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.973 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.937 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.879 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.854 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.812 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.801 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.792 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.767 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (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.
 
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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