Detailed information for compound 1607487

Basic information

Technical information
  • TDR Targets ID: 1607487
  • Name: (5',7'-diacetyloxy-1',3'-dioxospiro[1,2-dihyd roindene-3,2'-3a,4,9,9a-tetrahydrocyclopenta[ g]naphthalene]-8'-yl) acetate
  • MW: 476.475 | Formula: C27H24O8
  • H donors: 0 H acceptors: 5 LogP: 2.85 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)Oc1cc(OC(=O)C)c(c2c1CC1C(C2)C(=O)C2(C1=O)CCc1c2cccc1)OC(=O)C
  • InChi: 1S/C27H24O8/c1-13(28)33-22-12-23(34-14(2)29)24(35-15(3)30)18-11-20-19(10-17(18)22)25(31)27(26(20)32)9-8-16-6-4-5-7-21(16)27/h4-7,12,19-20H,8-11H2,1-3H3
  • InChiKey: XJVZXWIZAYAVHC-UHFFFAOYSA-N  

Network

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Synonyms

  • (5,7-diacetoxy-1,3-dioxo-spiro[3a,4,9,9a-tetrahydrocyclopenta[g]naphthalene-2,1'-indane]-8-yl) acetate
  • acetic acid (5,7-diacetoxy-1,3-dioxo-8-spiro[3a,4,9,9a-tetrahydrocyclopenta[g]naphthalene-2,1'-indane]yl) ester
  • acetic acid (5,7-diacetoxy-1,3-diketo-spiro[3a,4,9,9a-tetrahydrocyclopenta[g]naphthalene-2,1'-indane]-8-yl) ester
  • (5',7'-diacetyloxy-1',3'-dioxo-spiro[1,2-dihydroindene-3,2'-3a,4,9,9a-tetrahydrocyclopenta[g]naphthalene]-8'-yl) ethanoate
  • NCI60_006819
  • NSC622990

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) AGC/RSK/P70 protein kinase 0.1293 0.9718 0.9718
Trypanosoma brucei protein kinase, putative 0.0046 0.0091 0.0074
Entamoeba histolytica PH domain containing protein kinase, putative 0.0046 0.0091 0.0074
Schistosoma mansoni serine/threonine protein kinase 0.0443 0.3156 0.4745
Echinococcus multilocularis serine threonine protein kinase 0.0443 0.3156 0.4731
Trichomonas vaginalis AGC family protein kinase 0.133 1 1
Entamoeba histolytica p21-activated kinase 0.0046 0.0091 0.0074
Schistosoma mansoni serine/threonine protein kinase 0.0443 0.3156 0.4745
Brugia malayi hypothetical protein 0.0051 0.0129 0.0112
Echinococcus multilocularis ribosomal protein s6 kinase beta 1 0.0443 0.3156 0.4731
Schistosoma mansoni dynamin 0.0036 0.0017 0.0025
Echinococcus granulosus serine/threonine protein kinase 0.0896 0.6653 1
Schistosoma mansoni serine/threonine kinase 0.0443 0.3156 0.4745
Leishmania major rac serine-threonine kinase, putative,protein kinase, putative 0.0046 0.0091 1
Trypanosoma cruzi NIMA-related kinase, putative 0.0046 0.0091 0.0111
Echinococcus granulosus twitchin 0.0074 0.0303 0.0432
Plasmodium vivax rac-beta serine/threonine protein kinase, putative 0.0859 0.6371 1
Trichomonas vaginalis AGC family protein kinase 0.0046 0.0091 0.0074
Trichomonas vaginalis AGC family protein kinase 0.0046 0.0091 0.0074
Echinococcus granulosus Immunoglobulin 0.0051 0.0129 0.0169
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0051 0.0129 0.0194
Echinococcus multilocularis roundabout 2 0.0081 0.0358 0.0514
Brugia malayi Immunoglobulin I-set domain containing protein 0.0829 0.6133 0.6126
Echinococcus granulosus protein kinase c iota type 0.0443 0.3156 0.4731
Trypanosoma cruzi Protein kinase B 0.0896 0.6653 1
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0443 0.3156 0.3145
Trypanosoma cruzi Serine/threonine-protein kinase NEK21, putative 0.0046 0.0091 0.0111
Trichomonas vaginalis AGC family protein kinase 0.0046 0.0091 0.0074
Echinococcus multilocularis Ribosomal protein S6 kinase beta 2 0.0443 0.3156 0.4731
Echinococcus granulosus ribosomal protein s6 kinase beta 1 0.0443 0.3156 0.4731
Trichomonas vaginalis AGC family protein kinase 0.0046 0.0091 0.0074
Loa Loa (eye worm) AGC/AKT protein kinase 0.133 1 1
Schistosoma mansoni serine/threonine-protein kinase 0.0896 0.6653 1
Echinococcus granulosus serine threonine protein kinase nrc 0.0859 0.6371 0.9576
Trichomonas vaginalis AGC family protein kinase 0.0046 0.0091 0.0074
Schistosoma mansoni goodpasture antigen-binding protein 0.0036 0.0017 0.0025
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0896 0.6653 1
Trichomonas vaginalis AGC family protein kinase 0.133 1 1
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.085 0.6297 0.9465
Trichomonas vaginalis AGC family protein kinase 0.0046 0.0091 0.0074
Echinococcus granulosus Protein kinase C brain isozyme 0.0443 0.3156 0.4731
Trichomonas vaginalis AGC family protein kinase 0.0443 0.3156 0.3145
Echinococcus granulosus neuroglian 0.0064 0.023 0.0321
Trypanosoma cruzi serine/threonine protein kinase, putative 0.0046 0.0091 0.0111
Schistosoma mansoni zinc finger protein 0.0036 0.0017 0.0025
Echinococcus multilocularis Immunoglobulin 0.0051 0.0129 0.0169
Schistosoma mansoni hypothetical protein 0.0036 0.0017 0.0025
Entamoeba histolytica protein kinase, putative 0.1293 0.9718 0.9718
Schistosoma mansoni hypothetical protein 0.0036 0.0017 0.0025
Trichomonas vaginalis AGC family protein kinase 0.0046 0.0091 0.0074
Schistosoma mansoni serine/threonine protein kinase 0.0443 0.3156 0.4745
Echinococcus multilocularis serine:threonine protein kinase 38 0.0443 0.3156 0.4731
Leishmania major protein kinase, putative,serine/threonine protein kinase, putative 0.0046 0.0091 1
Schistosoma mansoni phosphoinositol 4-phosphate adaptor protein 0.0036 0.0017 0.0025
Echinococcus granulosus protein kinase C gamma type 0.0443 0.3156 0.4731
Trypanosoma brucei NEK family Serine/threonine-protein kinase, putative 0.0046 0.0091 0.0074
Trypanosoma cruzi Serine/threonine-protein kinase NEK21, putative 0.0046 0.0091 0.0111
Entamoeba histolytica PH domain containing protein kinase, putative 0.0896 0.6653 0.6647
Echinococcus granulosus nervana 2 0.085 0.6297 0.9465
Entamoeba histolytica protein kinase, putative 0.0046 0.0091 0.0074
Echinococcus multilocularis protein kinase c iota type 0.0443 0.3156 0.4731
Trichomonas vaginalis AGC family protein kinase 0.133 1 1
Schistosoma mansoni nephrin 0.0064 0.023 0.0345
Entamoeba histolytica protein kinase, putative 0.133 1 1
Schistosoma mansoni vav2 0.0036 0.0017 0.0025
Toxoplasma gondii protein kinase domain-containing protein 0.0046 0.0091 0.0076
Schistosoma mansoni zinc finger protein 0.0036 0.0017 0.0025
Trichomonas vaginalis AGC family protein kinase 0.0046 0.0091 0.0074
Trichomonas vaginalis AGC family protein kinase 0.133 1 1
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.085 0.6297 0.9465
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0039 0.0038 0.0021
Echinococcus granulosus calcium:calmodulin dependent protein kinase 0.0859 0.6371 0.9576
Echinococcus multilocularis protein kinase c epsilon type 0.0443 0.3156 0.4731
Trichomonas vaginalis AGC family protein kinase 0.0046 0.0091 0.0074
Loa Loa (eye worm) hypothetical protein 0.0051 0.0129 0.0112
Schistosoma mansoni hypothetical protein 0.0036 0.0017 0.0025
Echinococcus granulosus protein kinase c epsilon type 0.0443 0.3156 0.4731
Schistosoma mansoni serine/threonine-protein kinase 0.0896 0.6653 1
Trichomonas vaginalis AGC family protein kinase 0.048 0.3438 0.3427
Echinococcus granulosus NDR protein kinase 0.0443 0.3156 0.4731
Leishmania major protein kinase, putative 0.0046 0.0091 1
Trichomonas vaginalis AGC family protein kinase 0.0046 0.0091 0.0074
Loa Loa (eye worm) hypothetical protein 0.0051 0.0129 0.0112
Echinococcus granulosus roundabout 2 0.0081 0.0358 0.0514
Schistosoma mansoni rho gtpase activating protein 0.0036 0.0017 0.0025
Echinococcus multilocularis Glutaredoxin protein 5 0.085 0.6297 0.9465
Loa Loa (eye worm) AGC/PKN protein kinase 0.0443 0.3156 0.3145
Trichomonas vaginalis AGC family protein kinase 0.133 1 1
Entamoeba histolytica hypothetical protein 0.0046 0.0091 0.0074
Plasmodium falciparum calcium-dependent protein kinase 7 0.0046 0.0091 0.0116
Trichomonas vaginalis AGC family protein kinase 0.0443 0.3156 0.3145
Schistosoma mansoni cell adhesion molecule 0.0068 0.0257 0.0387
Echinococcus multilocularis serine:threonine protein kinase N2 0.0443 0.3156 0.4731
Entamoeba histolytica PH domain containing protein kinase, putative 0.0046 0.0091 0.0074
Trypanosoma cruzi Serine/threonine-protein kinase NEK17, putative 0.0046 0.0091 0.0111
Schistosoma mansoni dynamin 0.0036 0.0017 0.0025
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.0443 0.3156 0.3145
Onchocerca volvulus 0.0756 0.5575 0.9761
Trichomonas vaginalis AGC family protein kinase 0.0046 0.0091 0.0074
Trichomonas vaginalis AGC family protein kinase 0.133 1 1
Entamoeba histolytica protein kinase, putative 0.0443 0.3156 0.3145
Loa Loa (eye worm) hypothetical protein 0.0051 0.0129 0.0112
Schistosoma mansoni hypothetical protein 0.0036 0.0017 0.0025
Schistosoma mansoni syntrophin 0.0036 0.0017 0.0025
Echinococcus multilocularis rac serine:threonine kinase 0.0896 0.6653 1
Trichomonas vaginalis AGC family protein kinase 0.0046 0.0091 0.0074
Trichomonas vaginalis AGC family protein kinase 0.0046 0.0091 0.0074
Plasmodium vivax calcium-dependent protein kinase 7, putative 0.0046 0.0091 0.0116
Entamoeba histolytica protein kinase, putative 0.0046 0.0091 0.0074
Plasmodium falciparum RAC-beta serine/threonine protein kinase 0.0859 0.6371 1
Echinococcus multilocularis Immunoglobulin 0.0051 0.0129 0.0169
Brugia malayi Hr1 repeat family protein 0.0443 0.3156 0.3145
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0443 0.3156 0.3145
Toxoplasma gondii calcium dependent protein kinase CDPK7 0.0046 0.0091 0.0076
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0068 0.0257 0.0362
Loa Loa (eye worm) hypothetical protein 0.0081 0.0358 0.0342
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0829 0.6133 0.6126
Echinococcus multilocularis nervana 2 0.085 0.6297 0.9465
Trypanosoma cruzi NEK family Serine/threonine-protein kinase, putative 0.0046 0.0091 0.0111
Brugia malayi Immunoglobulin I-set domain containing protein 0.0051 0.0129 0.0112
Entamoeba histolytica PH domain containing protein kinase, putative 0.0896 0.6653 0.6647
Loa Loa (eye worm) hypothetical protein 0.0051 0.0129 0.0112
Trypanosoma cruzi Serine/threonine-protein kinase NEK17, putative 0.0046 0.0091 0.0111
Trichomonas vaginalis 3-phosphoinositide dependent protein kinase-1, putative 0.0046 0.0091 0.0074
Trichomonas vaginalis AGC family protein kinase 0.0443 0.3156 0.3145
Trypanosoma cruzi NIMA-related kinase, putative 0.0046 0.0091 0.0111
Schistosoma mansoni myotubularin-related protein 0.0036 0.0017 0.0025
Leishmania major serine/threonine-protein kinase a, putative 0.0046 0.0091 1
Trichomonas vaginalis AGC family protein kinase 0.0046 0.0091 0.0074
Schistosoma mansoni oxysterol-binding protein 1 0.0036 0.0017 0.0025
Entamoeba histolytica protein kinase, putative 0.0046 0.0091 0.0074
Echinococcus granulosus Ribosomal protein S6 kinase beta 2 0.0443 0.3156 0.4731
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.0443 0.3156 0.4731
Trypanosoma brucei rac serine-threonine kinase, putative 0.133 1 1
Entamoeba histolytica hypothetical protein 0.0046 0.0091 0.0074
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0051 0.0129 0.0194
Echinococcus multilocularis nervana 2 0.085 0.6297 0.9465
Schistosoma mansoni oxysterol-binding protein 1 0.0036 0.0017 0.0025
Leishmania major protein kinase, putative 0.0046 0.0091 1
Entamoeba histolytica PH domain containing protein kinase, putative 0.0046 0.0091 0.0074
Trypanosoma brucei serine/threonine-protein kinase NRKB, putative 0.0046 0.0091 0.0074
Onchocerca volvulus Tyrosine kinase homolog 0.0774 0.5711 1
Trichomonas vaginalis AGC family protein kinase 0.0046 0.0091 0.0074
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.0443 0.3156 0.3145
Trichomonas vaginalis AGC family protein kinase 0.0046 0.0091 0.0074
Echinococcus multilocularis serine threonine protein kinase nrc serine threonine protein kinase gad 0.0859 0.6371 0.9576
Echinococcus multilocularis serine:threonine protein kinase N2 0.0443 0.3156 0.4731
Echinococcus granulosus defective proboscis extension response 0.0051 0.0129 0.0169
Schistosoma mansoni vesicular amine transporter 0.0051 0.0129 0.0194
Schistosoma mansoni atypical protein kinase C 0.0443 0.3156 0.4745
Brugia malayi p70 ribosomal S6 kinase beta 0.1293 0.9718 0.9718
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0443 0.3156 0.4731
Schistosoma mansoni development and differentiation-enhancing factor ddef 0.0036 0.0017 0.0025
Brugia malayi protein kinase C II. 0.0443 0.3156 0.3145
Brugia malayi Protein kinase domain containing protein 0.0443 0.3156 0.3145
Schistosoma mansoni serine/threonine protein kinase 0.0443 0.3156 0.4745
Echinococcus multilocularis neuroglian 0.0064 0.023 0.0321
Echinococcus granulosus serine:threonine protein kinase N2 0.0443 0.3156 0.4731
Trichomonas vaginalis AGC family protein kinase 0.0046 0.0091 0.0074
Loa Loa (eye worm) hypothetical protein 0.0443 0.3156 0.3145
Trypanosoma brucei serine/threonine-protein kinase NrkA 0.0046 0.0091 0.0074
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0051 0.0129 0.0169
Loa Loa (eye worm) hypothetical protein 0.0051 0.0129 0.0112
Entamoeba histolytica protein kinase, putative 0.0046 0.0091 0.0074
Trichomonas vaginalis ribosomal protein S6 kinase, 90kD, polypeptide, putative 0.0046 0.0091 0.0074
Schistosoma mansoni goodpasture antigen-binding protein 0.0036 0.0017 0.0025
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.0443 0.3156 0.4731
Leishmania major folate/biopterin transporter, putative 0.0046 0.0091 1
Echinococcus granulosus nervana 2 0.085 0.6297 0.9465
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0046 0.0091 0.0111
Loa Loa (eye worm) hypothetical protein 0.0051 0.0129 0.0112
Entamoeba histolytica protein kinase, putative 0.0046 0.0091 0.0074
Trichomonas vaginalis AGC family protein kinase 0.0046 0.0091 0.0074
Trichomonas vaginalis serine/threonine-protein kinase sgk, putative 0.0434 0.3083 0.3071
Brugia malayi Fibronectin type III domain containing protein 0.0051 0.0129 0.0112
Loa Loa (eye worm) hypothetical protein 0.0068 0.0257 0.0241
Schistosoma mansoni serine/threonine protein kinase 0.0443 0.3156 0.4745
Echinococcus granulosus Glutaredoxin protein 5 0.085 0.6297 0.9465
Toxoplasma gondii AGC kinase 0.1293 0.9718 1
Entamoeba histolytica protein kinase, putative 0.133 1 1
Giardia lamblia Kinase, AGC PKA 0.0859 0.6371 0.5
Loa Loa (eye worm) AGC/NDR protein kinase 0.0443 0.3156 0.3145
Schistosoma mansoni guanyl-nucleotide exchange factor 0.0036 0.0017 0.0025
Loa Loa (eye worm) hypothetical protein 0.0081 0.0358 0.0342
Entamoeba histolytica protein kinase 2, putative 0.0859 0.6371 0.6365
Trichomonas vaginalis AGC family protein kinase 0.133 1 1
Schistosoma mansoni rhogef and pleckstrin domain protein 0.0036 0.0017 0.0025
Brugia malayi Protein kinase domain containing protein 0.0443 0.3156 0.3145
Trichomonas vaginalis AGC family protein kinase 0.0046 0.0091 0.0074
Trypanosoma brucei Serine/threonine-protein kinase NEK21, putative 0.0046 0.0091 0.0074
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0859 0.6371 0.9576
Schistosoma mansoni serine/threonine protein kinase 0.0443 0.3156 0.4745
Trypanosoma cruzi serine/threonine-protein kinase NRKB, putative 0.0046 0.0091 0.0111
Schistosoma mansoni serine/threonine protein kinase 0.0443 0.3156 0.4745
Entamoeba histolytica PH domain containing protein kinase, putative 0.0046 0.0091 0.0074
Schistosoma mansoni hypothetical protein 0.0036 0.0017 0.0025
Trichomonas vaginalis AGC family protein kinase 0.0046 0.0091 0.0074
Schistosoma mansoni centaurin alpha 0.0036 0.0017 0.0025
Schistosoma mansoni growth factor receptor-bound protein 0.0036 0.0017 0.0025

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -5.344 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) -5.121 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
GI50 (functional) -4.874 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) -4.763 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) -4.735 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) -4.656 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

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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