Detailed information for compound 1615389

Basic information

Technical information
  • TDR Targets ID: 1615389
  • Name: NCIMech_000434
  • MW: 354.31 | Formula: C19H14O7
  • H donors: 1 H acceptors: 2 LogP: 3.34 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(c2c1oc1c3c(O[C@@H]4[C@H]3C=CO4)cc(c1c2=O)OC)O
  • InChi: 1S/C19H14O7/c1-22-10-4-3-9(20)14-16(21)15-11(23-2)7-12-13(18(15)26-17(10)14)8-5-6-24-19(8)25-12/h3-8,19-20H,1-2H3/t8-,19+/m0/s1
  • InChiKey: VVRUNWFPOWIBDY-WPCRTTGESA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • NCI60_001501
  • 7H-Furo[3',2':4,5]furo[2,3-c]xanthen-7-one, 3a,12c-dihydro-8-hydroxy-6,11-dimethoxy-, (3aR-cis)-
  • NSC178249
  • Methoxysterigmatocystin

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 granulosus mitogen activated protein kinase 3 0.0051 0.0909 0.0909
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1001 0.2447
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.0015 0.0125 0.5
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0053 0.0128
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0015 0.0125 0.0305
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0053 0.0053
Echinococcus granulosus mitogen activated protein kinase 0.0051 0.0909 0.0909
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0053 0.0128
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0053 0.0128
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0053 0.0053
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0015 0.0125 0.0305
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0053 0.0128
Echinococcus multilocularis prolyl endopeptidase 0.0015 0.0125 0.0125
Brugia malayi ecdysteroid receptor 0.0012 0.0053 0.0128
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0053 0.0128
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0051 0.0909 0.7083
Loa Loa (eye worm) hypothetical protein 0.0015 0.0125 0.0305
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0051 0.0909 0.7083
Schistosoma mansoni hypothetical protein 0.0043 0.0741 0.1811
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0051 0.0909 0.7083
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0053 0.0128
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.0066 0.1232 1
Loa Loa (eye worm) hypothetical protein 0.005 0.0891 0.2176
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0053 0.0053
Loa Loa (eye worm) hypothetical protein 0.0012 0.0053 0.0128
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0053 0.0128
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.0066 0.1232 1
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0051 0.0909 0.175
Entamoeba histolytica hypothetical protein 0.0043 0.0741 1
Brugia malayi prolyl oligopeptidase family protein 0.0015 0.0125 0.0305
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0053 0.0053
Echinococcus granulosus acylamino acid releasing enzyme 0.0015 0.0125 0.0125
Schistosoma mansoni serine/threonine protein kinase 0.0051 0.0909 0.2222
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0053 0.0053
Trypanosoma brucei protein kinase, putative 0.0051 0.0909 0.7083
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0741 0.0741
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0053 0.0128
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0053 0.0053
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.0066 0.1232 1
Schistosoma mansoni coup transcription factor 0.0012 0.0053 0.0128
Toxoplasma gondii 1,3-beta-glucan synthase component protein 0.0219 0.4607 1
Brugia malayi steroid hormone receptor 0.0012 0.0053 0.0128
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0053 0.0128
Mycobacterium tuberculosis Probable protease II PtrBb [second part] (oligopeptidase B) 0.0015 0.0125 0.5
Loa Loa (eye worm) prolyl oligopeptidase 0.0195 0.4093 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.1001 0.2447
Loa Loa (eye worm) hypothetical protein 0.0012 0.0053 0.0128
Brugia malayi prolyl oligopeptidase family protein 0.0195 0.4093 1
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.0195 0.4093 0.4093
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0053 0.0128
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0053 0.0053
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0051 0.0909 0.7083
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0053 0.0053
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1001 0.1001
Echinococcus multilocularis mitogen activated protein kinase 3 0.0051 0.0909 0.0909
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0053 0.0128
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0053 0.0128
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0053 0.0128
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0053 0.0053
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.0066 0.1232 1
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.0909 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0053 0.0128
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0053 0.0128
Brugia malayi hypothetical protein 0.0043 0.0741 0.1811
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0053 0.0053
Loa Loa (eye worm) hypothetical protein 0.0012 0.0053 0.0128
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0053 0.0128
Echinococcus granulosus Dipeptidyl peptidase 9 0.0066 0.1232 0.1232
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0053 0.0128
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0053 0.0128
Entamoeba histolytica hypothetical protein 0.0043 0.0741 1
Mycobacterium tuberculosis Probable peptidase 0.0015 0.0125 0.5
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0053 0.0128
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1001 0.2447
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0051 0.0909 0.7083
Brugia malayi MAP kinase sur-1 0.0051 0.0909 0.2222
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0053 0.0053
Brugia malayi nuclear hormone receptor 0.0012 0.0053 0.0128
Brugia malayi prolyl oligopeptidase family protein 0.0066 0.1232 0.3011
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.1001 0.2447
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.0015 0.0125 0.5
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0053 0.0053
Echinococcus granulosus prolyl endopeptidase 0.0015 0.0125 0.0125
Loa Loa (eye worm) hypothetical protein 0.0012 0.0053 0.0128
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.0066 0.1232 0.247
Loa Loa (eye worm) hypothetical protein 0.0012 0.0053 0.0128
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0053 0.0128
Plasmodium vivax hypothetical protein, conserved 0.0015 0.0125 0.5
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0053 0.0128
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0015 0.0125 0.0305
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0053 0.0128
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1001 0.1001
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0053 0.0128
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0053 0.0128
Echinococcus multilocularis Dipeptidyl peptidase 9 0.0066 0.1232 0.1232
Brugia malayi nuclear receptor NHR-88 0.0012 0.0053 0.0128
Brugia malayi hypothetical protein 0.005 0.0891 0.2176
Loa Loa (eye worm) hypothetical protein 0.0012 0.0053 0.0128
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0051 0.0909 0.7083
Loa Loa (eye worm) hypothetical protein 0.0015 0.0125 0.0305
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0053 0.0128
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.0066 0.1232 0.3011
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1001 0.1001
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0051 0.0909 0.7083
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.0909 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0053 0.0128
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.2962 0.7238
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0053 0.0128
Entamoeba histolytica hypothetical protein 0.0043 0.0741 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0053 0.0128
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.0909 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0053 0.0128
Schistosoma mansoni acylaminoacyl-peptidase (S09 family) 0.0015 0.0125 0.0305
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0053 0.0053
Brugia malayi prolyl oligopeptidase family protein 0.0015 0.0125 0.0305
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0053 0.0053
Giardia lamblia Kinase, CMGC MAPK 0.0051 0.0909 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1001 0.1001
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0053 0.0128
Brugia malayi prolyl oligopeptidase family protein 0.0015 0.0125 0.0305
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0053 0.0128
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0741 0.1811
Loa Loa (eye worm) hypothetical protein 0.0012 0.0053 0.0128
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.0195 0.4093 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0053 0.0128
Brugia malayi MH2 domain containing protein 0.0144 0.2962 0.7238
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0053 0.0053
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.0195 0.4093 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0741 0.0741
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0053 0.0053
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.2962 0.7238
Echinococcus multilocularis acylamino acid releasing enzyme 0.0015 0.0125 0.0125
Loa Loa (eye worm) hypothetical protein 0.0012 0.0053 0.0128
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0053 0.0128
Loa Loa (eye worm) prolyl oligopeptidase 0.0015 0.0125 0.0305
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0053 0.0128
Echinococcus multilocularis mitogen activated protein kinase 0.0051 0.0909 0.0909
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0053 0.0128
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.0066 0.1232 1
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.0909 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0125 0.0305
Onchocerca volvulus Prolyl endopeptidase homolog 0.0015 0.0125 0.0179
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0051 0.0909 0.2222
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0053 0.0053
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1001 0.2447
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0053 0.0053
Entamoeba histolytica hypothetical protein 0.0043 0.0741 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0053 0.0128
Plasmodium falciparum peptidase, putative 0.0015 0.0125 0.5
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.0195 0.4093 0.4093

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -7.182 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the P388 Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -6.975 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) -5.586 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) -5.422 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) -5.379 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) -5.022 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) -5.004 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) -4.488 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

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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