Detailed information for compound 1608578

Basic information

Technical information
  • TDR Targets ID: 1608578
  • Name: (7-oxo-9$l^{3}-ioda-8-azabicyclo[4.3.0]nona-1 ,3,5-trien-9-yl) acetate
  • MW: 305.069 | Formula: C9H8INO3
  • H donors: 1 H acceptors: 2 LogP: 1.55 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)O[I]1NC(=O)c2c1cccc2
  • InChi: 1S/C9H8INO3/c1-6(12)14-10-8-5-3-2-4-7(8)9(13)11-10/h2-5H,1H3,(H,11,13)
  • InChiKey: YSJTUDMXQVOXKV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • acetic acid (7-oxo-9$l^{3}-ioda-8-azabicyclo[4.3.0]nona-1,3,5-trien-9-yl) ester
  • acetic acid (7-keto-9$l^{3}-ioda-8-azabicyclo[4.3.0]nona-1,3,5-trien-9-yl) ester
  • (7-oxo-9$l^{3}-ioda-8-azabicyclo[4.3.0]nona-1,3,5-trien-9-yl) ethanoate
  • Acetic acid 3-oxo-2,3-dihydro-1-lambda-~3~-benzo[d][1,2]iodazol-1-yl ester
  • NSC692393
  • NCI60_033151
  • AIDS-151562
  • AIDS151562

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
Schistosoma mansoni hypothetical protein 0.0388 1 1
Trichomonas vaginalis bromodomain-containing protein, putative 0.0133 0.2525 0.1272
Trichomonas vaginalis conserved hypothetical protein 0.0133 0.2525 0.1272
Schistosoma mansoni hypothetical protein 0.0138 0.2666 0.0862
Schistosoma mansoni TRABID protein (C64 family) 0.0138 0.2666 0.0862
Echinococcus multilocularis bromodomain containing 2 0.0213 0.4879 0.4278
Onchocerca volvulus Ubiquitin thioesterase ZRANB1 homolog 0.0138 0.2666 0.1437
Echinococcus granulosus CREB binding protein 0.0114 0.1975 0.1233
Toxoplasma gondii Zn-finger in Ran binding protein and others domain-containing protein 0.0138 0.2666 0.1437
Loa Loa (eye worm) brahma associated protein 0.0388 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0138 0.2666 0.5
Onchocerca volvulus 0.0138 0.2666 0.1437
Trichomonas vaginalis bromodomain-containing protein, putative 0.0133 0.2525 0.1272
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0138 0.2666 0.5
Trichomonas vaginalis bromodomain-containing protein, putative 0.0213 0.4879 0.402
Echinococcus granulosus Nuclear pore complex protein Nup153 0.0138 0.2666 0.1988
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0388 1 1
Onchocerca volvulus 0.0138 0.2666 0.1437
Loa Loa (eye worm) hypothetical protein 0.0138 0.2666 0.2666
Entamoeba histolytica bromodomain-containing protein 0.0096 0.1436 0.5
Trichomonas vaginalis bromodomain-containing protein, putative 0.0213 0.4879 0.402
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0138 0.2666 0.1877
Echinococcus granulosus Upstream activation factor subunit UAF30 0.0388 1 1
Echinococcus granulosus zinc finger protein Ran binding 0.0138 0.2666 0.1988
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0138 0.2666 0.5
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.0388 1 1
Echinococcus multilocularis SWI:SNF matrix associated 0.0388 1 1
Entamoeba histolytica bromodomain-containing protein 0.0096 0.1436 0.5
Loa Loa (eye worm) bromodomain containing protein 0.0096 0.1436 0.1436
Echinococcus multilocularis SWI:SNF matrix associated 0.0388 1 1
Chlamydia trachomatis SWIB complex protein 0.0388 1 0.5
Trypanosoma brucei Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0138 0.2666 0.5
Trypanosoma cruzi WLM domain containing protein, putative 0.0138 0.2666 0.5
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0138 0.2666 0.1877
Trypanosoma cruzi Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0138 0.2666 0.5
Schistosoma mansoni hypothetical protein 0.0388 1 1
Brugia malayi Bromodomain containing protein 0.0213 0.4879 0.4328
Trichomonas vaginalis bromodomain-containing protein, putative 0.0133 0.2525 0.1272
Echinococcus multilocularis SWI:SNF matrix associated 0.0388 1 1
Echinococcus granulosus SWI:SNF matrix associated 0.0388 1 1
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0138 0.2666 0.5
Brugia malayi SWIB/MDM2 domain containing protein 0.0388 1 1
Trypanosoma cruzi WLM domain containing protein, putative 0.0138 0.2666 0.5
Loa Loa (eye worm) SWIB/MDM2 domain-containing protein 0.0388 1 1
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0138 0.2666 0.1877
Loa Loa (eye worm) hypothetical protein 0.0138 0.2666 0.2666
Trichomonas vaginalis bromodomain containing protein, putative 0.0133 0.2525 0.1272
Schistosoma mansoni hypothetical protein 0.0388 1 1
Echinococcus granulosus ring and YY1 binding protein 0.0138 0.2666 0.1988
Trypanosoma brucei hypothetical protein, conserved 0.0138 0.2666 0.5
Plasmodium vivax hypothetical protein, conserved 0.0388 1 0.5
Brugia malayi TAZ zinc finger family protein 0.0114 0.1975 0.1112
Brugia malayi brahma associated protein 60 kDa 0.0388 1 1
Loa Loa (eye worm) CBP-B 0.0084 0.1075 0.1075
Echinococcus granulosus Zinc finger RanBP2 type 0.0138 0.2666 0.1988
Schistosoma mansoni brg-1 associated factor 0.0388 1 1
Echinococcus granulosus bromodomain containing 2 0.0213 0.4879 0.4405
Trichomonas vaginalis conserved hypothetical protein 0.0117 0.2061 0.073
Loa Loa (eye worm) hypothetical protein 0.0138 0.2666 0.2666
Trypanosoma cruzi hypothetical protein, conserved 0.0138 0.2666 0.5
Leishmania major hypothetical protein, conserved 0.0138 0.2666 0.5
Echinococcus multilocularis zinc finger protein Ran binding 0.0138 0.2666 0.1806
Entamoeba histolytica bromodomain-containing protein 0.0096 0.1436 0.5
Trypanosoma brucei hypothetical protein, conserved 0.0138 0.2666 0.5
Onchocerca volvulus 0.0138 0.2666 0.1437
Toxoplasma gondii ran binding protein 0.0138 0.2666 0.1437
Echinococcus multilocularis ring and YY1 binding protein 0.0138 0.2666 0.1806
Leishmania major hypothetical protein, conserved 0.0138 0.2666 0.5
Leishmania major hypothetical protein, conserved 0.0138 0.2666 0.5
Schistosoma mansoni RNA binding protein 0.0138 0.2666 0.0862
Schistosoma mansoni bromodomain-containing protein 3 brd3 0.0213 0.4879 0.3618
Toxoplasma gondii SWIB/MDM2 domain-containing protein 0.0388 1 1
Plasmodium vivax SWIB/MDM2 domain-containing protein, putative 0.0388 1 0.5
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0138 0.2666 0.1877
Schistosoma mansoni fusion 0.0138 0.2666 0.0862
Echinococcus multilocularis Upstream activation factor subunit UAF30 0.0388 1 1
Leishmania major hypothetical protein, conserved 0.0138 0.2666 0.5
Brugia malayi Bromodomain containing protein 0.0213 0.4879 0.4328
Echinococcus multilocularis Bromodomain containing protein 0.0096 0.1436 0.0431
Leishmania major hypothetical protein, conserved 0.0138 0.2666 0.5
Schistosoma mansoni zinc finger protein 0.0138 0.2666 0.0862
Trypanosoma brucei mitochondrial RNA binding complex 1 subunit 0.0138 0.2666 0.5
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0388 1 1
Echinococcus multilocularis Zinc finger, RanBP2 type 0.0138 0.2666 0.1806
Loa Loa (eye worm) hypothetical protein 0.0213 0.4879 0.4879
Chlamydia trachomatis DNA topoisomerase I 0.0388 1 0.5
Onchocerca volvulus 0.0138 0.2666 0.1437
Trichomonas vaginalis conserved hypothetical protein 0.0388 1 1
Giardia lamblia Kinase, putative 0.0096 0.1436 0.5
Echinococcus multilocularis Nuclear pore complex protein Nup153 0.0138 0.2666 0.1806
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0138 0.2666 0.5
Loa Loa (eye worm) hypothetical protein 0.0138 0.2666 0.2666
Trypanosoma cruzi hypothetical protein, conserved 0.0138 0.2666 0.5
Loa Loa (eye worm) hypothetical protein 0.0138 0.2666 0.2666
Brugia malayi YY1-associated factor 2 0.0138 0.2666 0.1877
Onchocerca volvulus 0.0388 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 MDA-N Breast 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 DU-145 Prostate 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

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.