Detailed information for compound 1623409

Basic information

Technical information
  • TDR Targets ID: 1623409
  • Name: 6-fluoro-3-hydroxy-3-(2-oxocyclohexyl)-1H-ind ol-2-one
  • MW: 263.264 | Formula: C14H14FNO3
  • H donors: 2 H acceptors: 3 LogP: 0.89 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1CCCCC1C1(O)C(=O)Nc2c1ccc(c2)F
  • InChi: 1S/C14H14FNO3/c15-8-5-6-9-11(7-8)16-13(18)14(9,19)10-3-1-2-4-12(10)17/h5-7,10,19H,1-4H2,(H,16,18)
  • InChiKey: WJXZIMWBGPSBFK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6-fluoro-3-hydroxy-3-(2-oxocyclohexyl)indolin-2-one
  • 6-fluoro-3-hydroxy-3-(2-oxocyclohexyl)-2-indolinone
  • 6-fluoro-3-hydroxy-3-(2-ketocyclohexyl)oxindole
  • NCI60_017772
  • 1,3-Dihydro-6-fluoro-3-hydroxy-3-(2-oxocyclohexyl)indol-2- one
  • 6-Fluoro-3-hydroxy-3-(2-oxocyclohexyl)-1,3-dihydro-2H-indol-2-one
  • AIDS-140081
  • AIDS140081
  • NSC650912

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 CREB binding protein 0.025 0.2567 0.2567
Leishmania major hypothetical protein, conserved 0.0114 0 0.5
Brugia malayi SWIB/MDM2 domain containing protein 0.0321 0.3903 0.3903
Plasmodium vivax hypothetical protein, conserved 0.0321 0.3903 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0354 0.4529 0.1815
Echinococcus granulosus Upstream activation factor subunit UAF30 0.0321 0.3903 0.3903
Plasmodium vivax SWIB/MDM2 domain-containing protein, putative 0.0321 0.3903 0.5
Leishmania major hypothetical protein, conserved 0.0114 0 0.5
Echinococcus granulosus CREB binding protein 0.0346 0.4363 0.4363
Trypanosoma cruzi hypothetical protein, conserved 0.0114 0 0.5
Loa Loa (eye worm) CBP-B 0.0253 0.2616 0.2616
Trypanosoma brucei hypothetical protein, conserved 0.0114 0 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0114 0 0.5
Echinococcus granulosus bromodomain containing 2 0.0644 1 1
Echinococcus granulosus CREB binding protein 0.0229 0.2172 0.2172
Trypanosoma cruzi WLM domain containing protein, putative 0.0114 0 0.5
Trichomonas vaginalis bromodomain-containing protein, putative 0.0644 1 1
Schistosoma mansoni hypothetical protein 0.0321 0.3903 0.3903
Brugia malayi brahma associated protein 60 kDa 0.0321 0.3903 0.3903
Loa Loa (eye worm) hypothetical protein 0.0142 0.0529 0.0529
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0114 0 0.5
Leishmania major hypothetical protein, conserved 0.0114 0 0.5
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.0321 0.3903 1
Trichomonas vaginalis bromodomain-containing protein, putative 0.0402 0.543 0.3163
Brugia malayi TAZ zinc finger family protein 0.0346 0.4363 0.4363
Trypanosoma brucei hypothetical protein, conserved 0.0114 0 0.5
Echinococcus multilocularis SWI:SNF matrix associated 0.0321 0.3903 0.3903
Trypanosoma brucei Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0114 0 0.5
Echinococcus multilocularis SWI:SNF matrix associated 0.0321 0.3903 0.3903
Onchocerca volvulus 0.0321 0.3903 1
Schistosoma mansoni brg-1 associated factor 0.0321 0.3903 0.3903
Trypanosoma brucei mitochondrial RNA binding complex 1 subunit 0.0114 0 0.5
Toxoplasma gondii SWIB/MDM2 domain-containing protein 0.0321 0.3903 1
Trichomonas vaginalis bromodomain-containing protein, putative 0.0402 0.543 0.3163
Entamoeba histolytica bromodomain-containing protein 0.029 0.3316 0.5
Schistosoma mansoni CREB-binding protein 1 (SmCBP1) 0.0346 0.4363 0.4363
Entamoeba histolytica bromodomain-containing protein 0.029 0.3316 0.5
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0114 0 0.5
Echinococcus multilocularis Bromodomain containing protein 0.029 0.3316 0.3316
Schistosoma mansoni hypothetical protein 0.0321 0.3903 0.3903
Trichomonas vaginalis conserved hypothetical protein 0.0402 0.543 0.3163
Echinococcus granulosus SWI:SNF matrix associated 0.0321 0.3903 0.3903
Schistosoma mansoni hypothetical protein 0.0321 0.3903 0.3903
Echinococcus multilocularis bromodomain containing 2 0.0644 1 1
Trypanosoma cruzi Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0114 0 0.5
Toxoplasma gondii bromodomain-containing protein 0.029 0.3316 0.8495
Trypanosoma cruzi WLM domain containing protein, putative 0.0114 0 0.5
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0114 0 0.5
Leishmania major hypothetical protein, conserved 0.0114 0 0.5
Onchocerca volvulus 0.029 0.3316 0.8495
Echinococcus multilocularis SWI:SNF matrix associated 0.0321 0.3903 0.3903
Loa Loa (eye worm) hypothetical protein 0.0644 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0321 0.3903 0.0879
Trichomonas vaginalis bromodomain-containing protein, putative 0.0402 0.543 0.3163
Chlamydia trachomatis DNA topoisomerase I 0.0321 0.3903 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0114 0 0.5
Loa Loa (eye worm) brahma associated protein 0.0321 0.3903 0.3903
Echinococcus multilocularis Upstream activation factor subunit UAF30 0.0321 0.3903 0.3903
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0114 0 0.5
Trichomonas vaginalis bromodomain-containing protein, putative 0.0644 1 1
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0321 0.3903 1
Schistosoma mansoni CREB-binding protein 2 0.0346 0.4363 0.4363
Loa Loa (eye worm) bromodomain containing protein 0.029 0.3316 0.3316
Entamoeba histolytica bromodomain-containing protein 0.029 0.3316 0.5
Brugia malayi hypothetical protein 0.0242 0.2415 0.2415
Brugia malayi brahma associated protein 60 kDa 0.0321 0.3903 0.3903
Giardia lamblia Kinase, putative 0.029 0.3316 0.5
Schistosoma mansoni bromodomain-containing protein 3 brd3 0.0644 1 1
Trichomonas vaginalis bromodomain containing protein, putative 0.0402 0.543 0.3163
Loa Loa (eye worm) SWIB/MDM2 domain-containing protein 0.0321 0.3903 0.3903
Chlamydia trachomatis SWIB complex protein 0.0321 0.3903 0.5
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0321 0.3903 1
Leishmania major hypothetical protein, conserved 0.0114 0 0.5
Brugia malayi Bromodomain containing protein 0.0644 1 1

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4 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 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 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 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 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
GI50 (functional) -4 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 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 SF-539 Central Nervous System 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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