Detailed information for compound 1675320

Basic information

Technical information
  • TDR Targets ID: 1675320
  • Name: (8E)-8-hydroxyiminospiro[4,5,6,7-tetrahydro-1 H-cyclohepta[d]pyrrole-3,1'-cyclohexane]-2-on e
  • MW: 248.321 | Formula: C14H20N2O2
  • H donors: 2 H acceptors: 2 LogP: 2.27 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: O/N=C/1\CCCCC2=C1NC(=O)C12CCCCC1
  • InChi: 1S/C14H20N2O2/c17-13-14(8-4-1-5-9-14)10-6-2-3-7-11(16-18)12(10)15-13/h18H,1-9H2,(H,15,17)/b16-11+
  • InChiKey: BAMMPARCPLJOMP-LFIBNONCSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 8-hydroxyiminospiro[4,5,6,7-tetrahydro-1H-cyclohepta[d]pyrrole-3,1'-cyclohexane]-2-one
  • (8E)-8-hydroxyimino-2-spiro[4,5,6,7-tetrahydro-1H-cyclohepta[d]pyrrole-3,1'-cyclohexane]one
  • 8-hydroxyimino-2-spiro[4,5,6,7-tetrahydro-1H-cyclohepta[d]pyrrole-3,1'-cyclohexane]one
  • 8-hydroximinospiro[4,5,6,7-tetrahydro-1H-cyclohepta[d]pyrrole-3,1'-cyclohexane]-2-one
  • (8E)-8-hydroximinospiro[4,5,6,7-tetrahydro-1H-cyclohepta[d]pyrrole-3,1'-cyclohexane]-2-one
  • NCI60_009067
  • NSC628195

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
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0018 0.1426 0.1426
Echinococcus multilocularis isocitrate dehydrogenase 0.0019 0.1432 0.3376
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0019 0.1432 0.5
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.1432 0.5
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0018 0.1426 0.3361
Brugia malayi latrophilin 2 splice variant baaae 0.004 0.6031 0.6031
Onchocerca volvulus 0.0032 0.4242 1
Loa Loa (eye worm) isocitrate dehydrogenase 0.0019 0.1432 0.1432
Schistosoma mansoni intermediate filament proteins 0.0032 0.4242 0.7034
Schistosoma mansoni hypothetical protein 0.0018 0.1426 0.2364
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0015 0.0732 0.1725
Loa Loa (eye worm) hypothetical protein 0.0015 0.0608 0.0608
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0019 0.1432 0.5
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.1432 0.3376
Echinococcus granulosus intermediate filament protein 0.0032 0.4242 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0608 0.0608
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0018 0.1426 0.3361
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0019 0.1432 0.5
Toxoplasma gondii isocitrate dehydrogenase 0.0019 0.1432 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0058 1 1
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.1432 0.5
Brugia malayi Latrophilin receptor protein 2 0.0018 0.1426 0.1426
Echinococcus multilocularis lamin dm0 0.0032 0.4242 1
Echinococcus granulosus GPCR family 2 0.0018 0.1426 0.3361
Loa Loa (eye worm) latrophilin receptor protein 2 0.0018 0.1426 0.1426
Toxoplasma gondii isocitrate dehydrogenase 0.0019 0.1432 0.5
Loa Loa (eye worm) hypothetical protein 0.0031 0.4118 0.4118
Schistosoma mansoni lamin 0.0032 0.4242 0.7034
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.1432 0.3376
Loa Loa (eye worm) intermediate filament protein 0.0032 0.4242 0.4242
Echinococcus granulosus lamin dm0 0.0032 0.4242 1
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.1092 0.1092
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0058 1 1
Brugia malayi Intermediate filament tail domain containing protein 0.0032 0.4242 0.4242
Schistosoma mansoni hypothetical protein 0.0018 0.1426 0.2364
Schistosoma mansoni hypothetical protein 0.0018 0.1426 0.2364
Loa Loa (eye worm) hypothetical protein 0.004 0.6031 0.6031
Loa Loa (eye worm) hypothetical protein 0.0018 0.1426 0.1426
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0018 0.1426 0.3361
Onchocerca volvulus 0.0032 0.4242 1
Echinococcus multilocularis musashi 0.0032 0.4242 1
Brugia malayi Isocitrate dehydrogenase 0.0019 0.1432 0.1432
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0019 0.1432 0.5
Brugia malayi isocitrate dehydrogenase 0.0019 0.1432 0.1432
Schistosoma mansoni lamin 0.0032 0.4242 0.7034
Schistosoma mansoni hypothetical protein 0.004 0.6031 1
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0019 0.1432 0.5
Echinococcus multilocularis lamin 0.0032 0.4242 1
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0019 0.1432 0.3376
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0019 0.1432 0.3376
Loa Loa (eye worm) hypothetical protein 0.0015 0.0732 0.0732
Schistosoma mansoni hypothetical protein 0.0018 0.1426 0.2364
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.1092 0.1092
Echinococcus multilocularis GPCR, family 2 0.0018 0.1426 0.3361
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.1432 0.3376
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0019 0.1432 0.2375
Brugia malayi intermediate filament protein 0.0032 0.4242 0.4242
Loa Loa (eye worm) hypothetical protein 0.0032 0.4242 0.4242
Echinococcus granulosus lamin 0.0032 0.4242 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0018 0.1426 0.3361
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0015 0.0732 0.1725
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.1432 0.5
Loa Loa (eye worm) hypothetical protein 0.0058 1 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0032 0.4242 0.4242

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4.485 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 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 SF-539 Central Nervous System 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 MALME-3M 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.

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