Detailed information for compound 1646137

Basic information

Technical information
  • TDR Targets ID: 1646137
  • Name: (6Z)-6-hydroxyimino-13-azadispiro[4.1.4^{7}.2 ^{5}]tridecan-12-one
  • MW: 222.284 | Formula: C12H18N2O2
  • H donors: 2 H acceptors: 2 LogP: 2.03 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: O/N=C/1\C2(CCCC2)NC(=O)C21CCCC2
  • InChi: 1S/C12H18N2O2/c15-10-11(5-1-2-6-11)9(14-16)12(13-10)7-3-4-8-12/h16H,1-8H2,(H,13,15)/b14-9-
  • InChiKey: GUYVWOZQZLLUDM-ZROIWOOFSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (6Z)-6-hydroximino-13-azadispiro[4.1.4^{7}.2^{5}]tridecan-12-one
  • NSC629129

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
Loa Loa (eye worm) hypothetical protein 0.0151 0.3573 0.4566
Loa Loa (eye worm) hypothetical protein 0.0036 0.0733 0.0875
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0321 0.7756 1
Brugia malayi hypothetical protein 0.0169 0.4021 0.5149
Onchocerca volvulus Protein ultraspiracle homolog 0.0321 0.7756 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0733 0.0875
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0151 0.3573 0.3563
Mycobacterium leprae conserved hypothetical protein 0.0036 0.0733 0.5
Loa Loa (eye worm) hypothetical protein 0.0321 0.7756 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0151 0.3573 0.3563
Schistosoma mansoni nuclear receptor nhr-48 0.0151 0.3573 0.3563
Brugia malayi nuclear hormone receptor family member odr-7 0.0151 0.3573 0.4568
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0321 0.7756 0.7752
Schistosoma mansoni cpg binding protein 0.0031 0.0593 0.0578
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0321 0.7756 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0321 0.7756 1
Loa Loa (eye worm) hypothetical protein 0.0151 0.3573 0.4566
Echinococcus granulosus GPCR family 2 0.0034 0.067 0.0656
Brugia malayi Calcitonin receptor-like protein seb-1 0.0106 0.2468 0.3132
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.0733 0.5
Loa Loa (eye worm) hypothetical protein 0.0151 0.3573 0.4566
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0059 0.0044
Loa Loa (eye worm) hypothetical protein 0.0151 0.3573 0.4566
Echinococcus granulosus Nuclear hormone receptor HR96 0.0151 0.3573 0.3563
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0321 0.7756 0.7752
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0733 0.0718
Loa Loa (eye worm) hypothetical protein 0.0321 0.7756 1
Brugia malayi nuclear hormone receptor 0.0151 0.3573 0.4568
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.0733 0.5
Brugia malayi Latrophilin receptor protein 2 0.0034 0.067 0.0798
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0321 0.7756 1
Brugia malayi ecdysone receptor 0.0151 0.3573 0.4568
Echinococcus multilocularis dnaJ subfamily B 0.0411 1 1
Echinococcus multilocularis nuclear receptor nhr 48 0.0151 0.3573 0.3563
Loa Loa (eye worm) hypothetical protein 0.0034 0.067 0.0794
Echinococcus granulosus ecdysone induced protein 78C 0.0321 0.7756 0.7752
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0321 0.7756 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0733 0.0875
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0321 0.7756 1
Loa Loa (eye worm) hypothetical protein 0.0151 0.3573 0.4566
Echinococcus granulosus nuclear receptor nhr 48 0.0151 0.3573 0.3563
Brugia malayi orphan nuclear receptor NR2E1 0.0151 0.3573 0.4568
Echinococcus granulosus Nuclear hormone receptor HR96 0.0151 0.3573 0.3563
Loa Loa (eye worm) nuclear hormone receptor 0.0151 0.3573 0.4566
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0321 0.7756 1
Loa Loa (eye worm) hypothetical protein 0.0073 0.1636 0.2049
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0733 1
Brugia malayi Nuclear hormone receptor E75 0.0151 0.3573 0.4568
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0034 0.067 0.0656
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0321 0.7756 0.7752
Brugia malayi Nuclear hormone receptor-like 1 0.0169 0.4021 0.5149
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0321 0.7756 0.7752
Schistosoma mansoni hypothetical protein 0.0034 0.067 0.0656
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0321 0.7756 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0321 0.7756 1
Mycobacterium ulcerans lipase LipD 0.0036 0.0733 0.5
Schistosoma mansoni retinoic acid receptor RXR 0.0321 0.7756 0.7752
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0034 0.067 0.0656
Loa Loa (eye worm) steroid hormone receptor 0.0321 0.7756 1
Brugia malayi Nuclear hormone receptor-like 1 0.0169 0.4021 0.5149
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0034 0.067 0.0656
Mycobacterium ulcerans beta-lactamase 0.0036 0.0733 0.5
Loa Loa (eye worm) hypothetical protein 0.0151 0.3573 0.4566
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0321 0.7756 1
Loa Loa (eye worm) hypothetical protein 0.0321 0.7756 1
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0733 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0106 0.2468 0.3132
Mycobacterium ulcerans hypothetical protein 0.0036 0.0733 0.5
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0733 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0321 0.7756 0.7752
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0151 0.3573 0.3563
Loa Loa (eye worm) hypothetical protein 0.0151 0.3573 0.4566
Loa Loa (eye worm) hypothetical protein 0.0151 0.3573 0.4566
Onchocerca volvulus 0.0036 0.0733 0.0251
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0151 0.3573 0.3563
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0321 0.7756 1
Loa Loa (eye worm) hypothetical protein 0.0169 0.4021 0.5148
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0321 0.7756 1
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0169 0.4021 0.4012
Loa Loa (eye worm) hypothetical protein 0.0321 0.7756 1
Brugia malayi nuclear receptor NHR-88 0.0151 0.3573 0.4568
Brugia malayi Nuclear hormone receptor E75 0.0151 0.3573 0.4568
Brugia malayi nuclear receptor RXR 0.0151 0.3573 0.4568
Schistosoma mansoni nuclear receptor 0.0151 0.3573 0.3563
Loa Loa (eye worm) hypothetical protein 0.0321 0.7756 1
Schistosoma mansoni hypothetical protein 0.0034 0.067 0.0656
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0321 0.7756 0.7752
Schistosoma mansoni nuclear receptor 0.0151 0.3573 0.3563
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.0733 0.5
Echinococcus granulosus FTZ F1 alpha 0.0321 0.7756 0.7752
Schistosoma mansoni RAR-like nuclear receptor 0.0321 0.7756 0.7752
Loa Loa (eye worm) hypothetical protein 0.0321 0.7756 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0321 0.7756 0.7752
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0034 0.067 0.0798
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0151 0.3573 0.3563
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0169 0.4021 0.4012
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0321 0.7756 1
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0151 0.3573 0.4566
Loa Loa (eye worm) nuclear receptor NHR-67 0.0151 0.3573 0.4566
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0733 0.0718
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0733 0.0879
Loa Loa (eye worm) hypothetical protein 0.0036 0.0733 0.0875
Brugia malayi steroid hormone receptor 0.0321 0.7756 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0733 0.0875
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0151 0.3573 0.4568
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0321 0.7756 0.7752
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0321 0.7756 0.7752
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0733 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0321 0.7756 0.7752
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0733 0.5
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0733 0.0718
Brugia malayi beta-lactamase 0.0036 0.0733 0.0879
Loa Loa (eye worm) hypothetical protein 0.0036 0.0733 0.0875
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0321 0.7756 0.7752
Brugia malayi Nuclear hormone receptor-like 1 0.0321 0.7756 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0321 0.7756 0.7752
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0321 0.7756 0.7752
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0059 0.0044
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0169 0.4021 0.4012
Brugia malayi nuclear receptor RXR 0.0169 0.4021 0.5149
Brugia malayi hypothetical protein 0.0169 0.4021 0.5149
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0151 0.3573 0.4194
Onchocerca volvulus Bile acid receptor homolog 0.0321 0.7756 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0321 0.7756 1
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0151 0.3573 0.4194
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0321 0.7756 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0321 0.7756 0.7752
Trichomonas vaginalis esterase, putative 0.0036 0.0733 1
Plasmodium vivax hypothetical protein, conserved 0.0036 0.0733 0.5
Schistosoma mansoni nuclear hormone receptor 0.0151 0.3573 0.3563
Loa Loa (eye worm) hypothetical protein 0.0321 0.7756 1
Onchocerca volvulus 0.0151 0.3573 0.4194
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0321 0.7756 1
Brugia malayi latrophilin 2 splice variant baaae 0.0073 0.1636 0.2052
Toxoplasma gondii histone lysine methyltransferase SET1 0.0055 0.119 1
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0151 0.3573 0.3563
Schistosoma mansoni hypothetical protein 0.0034 0.067 0.0656
Brugia malayi nuclear hormone receptor 0.0321 0.7756 1
Loa Loa (eye worm) hypothetical protein 0.0151 0.3573 0.4566
Onchocerca volvulus 0.0036 0.0733 0.0251
Echinococcus multilocularis thyroid hormone receptor alpha 0.0321 0.7756 0.7752
Mycobacterium leprae Probable lipase LipE 0.0036 0.0733 0.5
Loa Loa (eye worm) hypothetical protein 0.0169 0.4021 0.5148
Brugia malayi nuclear receptor NHR-67 0.0151 0.3573 0.4568
Loa Loa (eye worm) beta-lactamase 0.0036 0.0733 0.0875
Loa Loa (eye worm) hypothetical protein 0.0151 0.3573 0.4566
Schistosoma mansoni cpg binding protein 0.0029 0.0552 0.0537
Schistosoma mansoni nuclear hormone receptor 0.0151 0.3573 0.3563
Brugia malayi hypothetical protein 0.0151 0.3573 0.4568
Loa Loa (eye worm) DR-78 0.0151 0.3573 0.4566
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0169 0.4021 0.4012
Schistosoma mansoni hypothetical protein 0.0073 0.1636 0.1623
Loa Loa (eye worm) hypothetical protein 0.0169 0.4021 0.5148
Loa Loa (eye worm) hypothetical protein 0.0151 0.3573 0.4566
Echinococcus multilocularis FTZ F1 alpha 0.0321 0.7756 0.7752
Schistosoma mansoni hypothetical protein 0.0034 0.067 0.0656
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0733 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0321 0.7756 0.7752
Echinococcus granulosus thyroid hormone receptor alpha 0.0151 0.3573 0.3563
Brugia malayi conserved hypotetical protein 0.0151 0.3573 0.4568
Schistosoma mansoni coup transcription factor 0.0321 0.7756 0.7752
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0169 0.4021 0.5148
Onchocerca volvulus 0.0151 0.3573 0.4194
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0321 0.7756 1
Brugia malayi nuclear receptor NHR-88 0.0321 0.7756 1
Schistosoma mansoni hypothetical protein 0.0411 1 1
Schistosoma mansoni cpg binding protein 0.0031 0.0593 0.0578
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0106 0.2468 0.313
Loa Loa (eye worm) hypothetical protein 0.0151 0.3573 0.4566
Echinococcus multilocularis GPCR, family 2 0.0034 0.067 0.0656
Onchocerca volvulus 0.0321 0.7756 1
Leishmania major hypothetical protein, conserved 0.0036 0.0733 0.5
Brugia malayi Steroid receptor seven-up type 2 0.0321 0.7756 1
Schistosoma mansoni thyroid hormone receptor 0.0321 0.7756 0.7752
Schistosoma mansoni nuclear hormone receptor 0.0321 0.7756 0.7752
Echinococcus granulosus cpg binding protein 0.0031 0.0593 0.0578
Loa Loa (eye worm) hypothetical protein 0.0321 0.7756 1
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0733 0.5
Loa Loa (eye worm) hypothetical protein 0.0151 0.3573 0.4566
Loa Loa (eye worm) hypothetical protein 0.0169 0.4021 0.5148
Brugia malayi ecdysteroid receptor 0.0321 0.7756 1
Loa Loa (eye worm) hypothetical protein 0.0106 0.2468 0.313
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0321 0.7756 1
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0151 0.3573 0.3563
Loa Loa (eye worm) latrophilin receptor protein 2 0.0034 0.067 0.0794
Loa Loa (eye worm) hypothetical protein 0.0036 0.0733 0.0875
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0151 0.3573 0.3563
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0733 0.0718
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0321 0.7756 1
Brugia malayi tailless protein 0.0151 0.3573 0.4568
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0321 0.7756 0.7752
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0061 0.1352 0.1338
Schistosoma mansoni zinc finger protein 0.0151 0.3573 0.3563
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0321 0.7756 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0552 0.064
Echinococcus multilocularis cpg binding protein 0.0031 0.0593 0.0578
Onchocerca volvulus 0.0036 0.0733 0.0251
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0321 0.7756 0.7752
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0321 0.7756 0.7752
Brugia malayi photoreceptor-specific nuclear receptor 0.0321 0.7756 1
Schistosoma mansoni thyroid hormone receptor 0.0321 0.7756 0.7752
Brugia malayi CXXC zinc finger family protein 0.0029 0.0552 0.0644
Echinococcus multilocularis ecdysone induced protein 78C 0.0321 0.7756 0.7752
Brugia malayi beta-lactamase family protein 0.0036 0.0733 0.0879
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0321 0.7756 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0231 0.5553 1
Brugia malayi nuclear hormone receptor family member nhr-6 0.0151 0.3573 0.4568
Loa Loa (eye worm) hypothetical protein 0.0169 0.4021 0.5148
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0321 0.7756 0.7752
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0151 0.3573 0.3563
Brugia malayi hypothetical protein 0.0151 0.3573 0.4568
Schistosoma mansoni steroid hormone receptor ad4bp 0.0321 0.7756 0.7752
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0034 0.067 0.0656
Brugia malayi beta-lactamase family protein 0.0036 0.0733 0.0879

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 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 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 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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