Detailed information for compound 1634308

Basic information

Technical information
  • TDR Targets ID: 1634308
  • Name: 4-(2-fluorophenyl)-N-[6-(hydroxy-oxidoamino)- 1,3-benzothiazol-2-yl]-2,4-dioxo-3-(3-oxo-1H- 2-benzofuran-1-yl)butanamide
  • MW: 519.458 | Formula: C25H14FN3O7S
  • H donors: 1 H acceptors: 7 LogP: 4.4 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C(C(=O)C(C(=O)c1ccccc1F)C1OC(=O)c2c1cccc2)Nc1nc2c(s1)cc(cc2)[N+](=O)[O-]
  • InChi: 1S/C25H14FN3O7S/c26-16-8-4-3-7-15(16)20(30)19(22-13-5-1-2-6-14(13)24(33)36-22)21(31)23(32)28-25-27-17-10-9-12(29(34)35)11-18(17)37-25/h1-11,19,22H,(H,27,28,32)
  • InChiKey: WVZLFXMXNBWPRY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-(2-fluorophenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)butanamide
  • 2-[[4-(2-fluorophenyl)-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)butanoyl]amino]-N-hydroxy-1,3-benzothiazol-6-amine oxide
  • 4-(2-fluorophenyl)-N-[6-(hydroxy-oxido-amino)-1,3-benzothiazol-2-yl]-2,4-dioxo-3-(3-oxo-1H-isobenzofuran-1-yl)butanamide
  • 2-[[4-(2-fluorophenyl)-2,4-dioxo-3-(3-oxo-1H-isobenzofuran-1-yl)butanoyl]amino]-N-hydroxy-1,3-benzothiazol-6-amine oxide
  • 4-(2-fluorophenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)-2,4-dioxo-3-(3-oxo-1H-isobenzofuran-1-yl)butanamide
  • 4-(2-fluorophenyl)-N-[6-(hydroxy-oxidoamino)-1,3-benzothiazol-2-yl]-2,4-dioxo-3-(3-oxo-1H-isobenzofuran-1-yl)butanamide
  • 2-[[4-(2-fluorophenyl)-1,2,4-trioxo-3-(3-oxo-1H-isobenzofuran-1-yl)butyl]amino]-N-hydroxy-1,3-benzothiazol-6-amine oxide
  • 4-(2-fluorophenyl)-2,4-diketo-3-(3-keto-1H-isobenzofuran-1-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)butyramide
  • 4-(2-fluorophenyl)-N-[6-(hydroxy-oxido-amino)-1,3-benzothiazol-2-yl]-2,4-diketo-3-(3-keto-1H-isobenzofuran-1-yl)butyramide
  • 2-[[4-(2-fluorophenyl)-2,4-diketo-3-(3-keto-1H-isobenzofuran-1-yl)butanoyl]amino]-N-hydroxy-1,3-benzothiazol-6-amine oxide
  • 4-(2-fluorophenyl)-N-[6-(hydroxy-oxido-amino)-1,3-benzothiazol-2-yl]-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)butanamide
  • 4-(2-Fluorophenyl)-N-(6-(hydroxy(oxido)amino)-1,3-benzothiazol-2-yl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide
  • AIDS-137197
  • AIDS137197
  • NSC640980
  • NCI60_013704

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
Trypanosoma brucei histone deacetylase 3 0.0301 0.4407 0.2101
Entamoeba histolytica histone deacetylase, putative 0.0642 1 0.5
Trypanosoma brucei histone deacetylase 4 0.0301 0.4407 0.2101
Trichomonas vaginalis histone deacetylase, putative 0.0642 1 1
Echinococcus granulosus histone deacetylase 6 0.0301 0.4407 0.436
Brugia malayi Histone deacetylase family protein 0.0301 0.4407 0.436
Leishmania major histone deacetylase, putative 0.0642 1 1
Loa Loa (eye worm) hypothetical protein 0.0642 1 1
Echinococcus multilocularis histone deacetylase 1 0.0642 1 1
Toxoplasma gondii histone deacetylase HDAC2 0.0642 1 1
Trichomonas vaginalis histone deacetylase, putative 0.0642 1 1
Trypanosoma cruzi histone deacetylase, putative 0.0301 0.4407 0.2101
Schistosoma mansoni histone deacetylase 1 2 3 0.0211 0.292 0.2819
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0642 1 1
Echinococcus multilocularis histone deacetylase 7 0.0301 0.4407 0.436
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0038 0.0083 0.0083
Trichomonas vaginalis histone deacetylase, putative 0.0642 1 1
Onchocerca volvulus Histone deacetylase 10 homolog 0.0211 0.292 0.5
Trypanosoma cruzi histone deacetylase 1, putative 0.0642 1 1
Echinococcus granulosus histone deacetylase 8 0.0211 0.292 0.2861
Echinococcus multilocularis histone deacetylase 3 0.0642 1 1
Trypanosoma brucei histone deacetylase 1 0.0642 1 1
Echinococcus multilocularis histone deacetylase 6 0.0301 0.4407 0.436
Schistosoma mansoni histone deacetylase 4 5 0.0301 0.4407 0.4327
Echinococcus granulosus histone deacetylase 3 0.0642 1 1
Loa Loa (eye worm) hypothetical protein 0.0091 0.0942 0.0942
Echinococcus granulosus histone deacetylase 6 0.0301 0.4407 0.436
Plasmodium falciparum histone deacetylase 1 0.0642 1 1
Loa Loa (eye worm) histone deacetylase 11 0.0211 0.292 0.292
Trichomonas vaginalis histone deacetylase, putative 0.0642 1 1
Echinococcus granulosus histone deacetylase 7 0.0301 0.4407 0.436
Echinococcus granulosus histone deacetylase 6 0.0301 0.4407 0.436
Echinococcus multilocularis histone deacetylase 6 0.0301 0.4407 0.436
Leishmania major histone deacetylase, putative 0.0642 1 1
Schistosoma mansoni histone deacetylase hda2 0.0211 0.292 0.2819
Schistosoma mansoni histone deacetylase 4 5 0.0301 0.4407 0.4327
Schistosoma mansoni histone deacetylase hda2 0.0301 0.4407 0.4327
Trypanosoma brucei histone deacetylase, putative 0.0301 0.4407 0.2101
Loa Loa (eye worm) histone deacetylase 1 0.0642 1 1
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0642 1 1
Plasmodium vivax histone deacetylase, putative 0.0301 0.4407 0.2101
Brugia malayi Histone deacetylase family protein 0.0301 0.4407 0.436
Echinococcus multilocularis histone deacetylase 0.0301 0.4407 0.436
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0642 1 1
Plasmodium vivax histone deacetylase 1, putative 0.0642 1 1
Trichomonas vaginalis histone deacetylase, putative 0.0642 1 1
Schistosoma mansoni histone deacetylase 0.0642 1 1
Echinococcus multilocularis histone deacetylase 6 0.0301 0.4407 0.436
Echinococcus multilocularis histone deacetylase 8 0.0211 0.292 0.2861
Loa Loa (eye worm) histone deacetylase 0.0301 0.4407 0.4407
Echinococcus granulosus histone deacetylase 1 0.0642 1 1
Loa Loa (eye worm) histone deacetylase 7A 0.0301 0.4407 0.4407
Loa Loa (eye worm) histone deacetylase 3 0.0642 1 1
Toxoplasma gondii histone deacetylase HDAC1 0.0301 0.4407 0.2101
Giardia lamblia Histone deacetylase 0.0642 1 0.5
Trypanosoma cruzi histone deacetylase, putative 0.0301 0.4407 0.2101
Trypanosoma cruzi histone deacetylase, putative 0.0301 0.4407 0.2101
Toxoplasma gondii histone deacetylase HDAC3 0.0642 1 1
Brugia malayi Histone deacetylase 1 0.0642 1 1
Echinococcus granulosus histone deacetylase 0.0301 0.4407 0.436
Trichomonas vaginalis histone deacetylase, putative 0.0642 1 1
Brugia malayi histone deacetylase 1 (HD1) 0.0642 1 1
Loa Loa (eye worm) hypothetical protein 0.0091 0.0942 0.0942
Loa Loa (eye worm) hypothetical protein 0.0211 0.292 0.292
Plasmodium vivax histone deacetylase 2, putative 0.0301 0.4407 0.2101
Brugia malayi histone deacetylase 11 0.0211 0.292 0.2861
Trypanosoma cruzi histone deacetylase 1, putative 0.0642 1 1
Schistosoma mansoni histone deacetylase 0.0642 1 1

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4.693 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) -4.672 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) -4.42 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) -4.393 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) -4.226 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) -4.173 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) -4.143 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 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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