Detailed information for compound 978564

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 334.321 | Formula: C17H18O7
  • H donors: 5 H acceptors: 5 LogP: 1.09 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CO[C@H]1c2ccc(c(c2OC[C@]1(O)Cc1ccc(c(c1)O)O)O)O
  • InChi: 1S/C17H18O7/c1-23-16-10-3-5-12(19)14(21)15(10)24-8-17(16,22)7-9-2-4-11(18)13(20)6-9/h2-6,16,18-22H,7-8H2,1H3/t16-,17+/m0/s1
  • InChiKey: ZWLRTODWEJCVRS-DLBZAZTESA-N  


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Network

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Synonyms

No synonyms found for this compound

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
Plasmodium falciparum thioredoxin reductase 0.0335 0.2278 1
Loa Loa (eye worm) TK protein kinase 0.0449 0.3282 0.4211
Toxoplasma gondii thioredoxin reductase 0.0335 0.2278 1
Schistosoma mansoni tyrosine kinase 0.0129 0.0474 0.0474
Echinococcus multilocularis tyrosine protein kinase Abl 0.0129 0.0474 0.0474
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0129 0.0474 0.0474
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0116 0.0362 0.0362
Echinococcus granulosus uridine phosphorylase 1 0.0252 0.1552 0.1552
Schistosoma mansoni uridine phosphorylase 0.0252 0.1552 0.1552
Loa Loa (eye worm) SRC-1 0.0559 0.4243 0.5444
Toxoplasma gondii phosphorylase family protein 0.0252 0.1552 0.6211
Schistosoma mansoni tyrosine kinase 0.0559 0.4243 0.4243
Trypanosoma cruzi nucleoside phosphorylase, putative 0.0252 0.1552 0.6211
Mycobacterium tuberculosis Conserved hypothetical protein 0.0252 0.1552 0.1235
Trypanosoma brucei trypanothione reductase 0.0335 0.2278 1
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0559 0.4243 0.4243
Echinococcus granulosus purine nucleoside phosphorylase 0.1216 1 1
Mycobacterium tuberculosis Probable purine nucleoside phosphorylase DeoD (inosine phosphorylase) (PNP) 0.1216 1 1
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0252 0.1552 0.4728
Toxoplasma gondii phosphorylase family protein 0.0252 0.1552 0.6211
Plasmodium vivax purine nucleoside phosphorylase, putative 0.0252 0.1552 0.6211
Echinococcus granulosus c src tyrosine kinase 0.0129 0.0474 0.0474
Brugia malayi MTAP 0.0252 0.1552 0.1552
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0252 0.1552 0.4728
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0505 0.3768 0.3768
Treponema pallidum purine nucleoside phosphorylase (deoD) 0.0252 0.1552 1
Echinococcus multilocularis purine nucleoside phosphorylase 0.1216 1 1
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0559 0.4243 0.4243
Echinococcus multilocularis NCK adaptor protein 0.011 0.0306 0.0306
Echinococcus granulosus tyrosine protein kinase Src64B 0.0559 0.4243 0.4243
Treponema pallidum uridine phosphorylase (udp) 0.0252 0.1552 1
Echinococcus granulosus methylthioadenosine phosphorylase 0.0252 0.1552 0.1552
Schistosoma mansoni methylthioadenosine phosphorylase 0.0252 0.1552 0.1552
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0559 0.4243 0.4243
Loa Loa (eye worm) variant SH3 domain-containing protein 0.011 0.0306 0.0393
Loa Loa (eye worm) hypothetical protein 0.011 0.0306 0.0393
Brugia malayi uridine phosphorylase family protein 0.0252 0.1552 0.1552
Leishmania major methylthioadenosine phosphorylase, putative 0.0252 0.1552 0.6211
Plasmodium falciparum purine nucleoside phosphorylase 0.0252 0.1552 0.6211
Echinococcus granulosus tyrosine protein kinase Blk 0.0505 0.3768 0.3768
Brugia malayi protein-tyrosine kinase 0.0505 0.3768 0.3768
Brugia malayi Tyrosine-protein kinase abl-1 0.0129 0.0474 0.0474
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0252 0.1552 0.1235
Loa Loa (eye worm) thioredoxin reductase 0.0335 0.2278 0.2923
Trichomonas vaginalis purine nucleoside phosphorylase I, putative 0.1216 1 1
Echinococcus multilocularis purine nucleoside phosphorylase 0.1216 1 1
Loa Loa (eye worm) sex muscle abnormal protein 5 0.011 0.0306 0.0393
Echinococcus granulosus purine nucleoside phosphorylase 0.1216 1 1
Schistosoma mansoni tyrosine kinase 0.0559 0.4243 0.4243
Plasmodium vivax glutathione reductase, putative 0.0335 0.2278 1
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0252 0.1552 0.1235
Schistosoma mansoni proto-oncogene tyrosine-protein kinase abl1 0.011 0.0306 0.0306
Loa Loa (eye worm) hypothetical protein 0.0964 0.7794 1
Echinococcus multilocularis purine nucleoside phosphorylase 0.0964 0.7794 0.7794
Echinococcus multilocularis growth factor receptor bound protein 2 0.011 0.0306 0.0306
Treponema pallidum pfs protein (pfs) 0.0252 0.1552 1
Mycobacterium ulcerans purine nucleoside phosphorylase 0.1216 1 1
Leishmania major trypanothione reductase 0.0335 0.2278 1
Brugia malayi Thioredoxin reductase 0.0335 0.2278 0.2278
Echinococcus granulosus growth factor receptor bound protein 2 0.011 0.0306 0.0306
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0486 0.36 0.36
Trypanosoma brucei methylthioadenosine phosphorylase, putative 0.0252 0.1552 0.6211
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0252 0.1552 0.1235
Echinococcus multilocularis purine nucleoside phosphorylase 0.1216 1 1
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0085 0.0092 0.0092
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0559 0.4243 0.4243
Schistosoma mansoni methylthioadenosine phosphorylase 0.0252 0.1552 0.1552
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0252 0.1552 0.4728
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0116 0.0362 0.0362
Entamoeba histolytica MTA/SAH nucleosidase, putative 0.0252 0.1552 0.4728
Echinococcus granulosus tyrosine protein kinase Fyn 0.0559 0.4243 0.4243
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0252 0.1552 0.1235
Trichomonas vaginalis conserved hypothetical protein 0.0252 0.1552 0.1235
Echinococcus multilocularis thioredoxin glutathione reductase 0.0335 0.2278 0.2278
Entamoeba histolytica protein kinase, putative 0.0449 0.3282 1
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0252 0.1552 0.4728
Loa Loa (eye worm) uridine phosphorylase 0.0252 0.1552 0.1991
Schistosoma mansoni methylthioadenosine phosphorylase 0.0252 0.1552 0.1552
Brugia malayi Sex muscle abnormal protein 5 0.011 0.0306 0.0306
Echinococcus granulosus purine nucleoside phosphorylase 0.1216 1 1
Echinococcus granulosus tyrosine protein kinase Src42A 0.0559 0.4243 0.4243
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0252 0.1552 0.4728
Echinococcus granulosus tyrosine protein kinase Fyn 0.0559 0.4243 0.4243
Schistosoma mansoni purine nucleoside phosphorylase 0.1216 1 1
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0559 0.4243 0.4243
Giardia lamblia Purine nucleoside phosphorylase lateral transfer candidate 0.1216 1 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0116 0.0362 0.5
Loa Loa (eye worm) TK protein kinase 0.0505 0.3768 0.4835
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0559 0.4243 0.4243
Echinococcus granulosus NCK adaptor protein 0.011 0.0306 0.0306
Schistosoma mansoni growth factor receptor-bound protein 0.011 0.0306 0.0306
Giardia lamblia 5-methylthioadenosine nucleosidase, S-adenosylhomocysteine nucleosidase 0.0252 0.1552 0.1235
Echinococcus granulosus purine nucleoside phosphorylase 0.1216 1 1
Trypanosoma cruzi methylthioadenosine phosphorylase, putative 0.0252 0.1552 0.6211
Echinococcus multilocularis uridine phosphorylase 1 0.0252 0.1552 0.1552
Onchocerca volvulus Purine nucleoside phosphorylase homolog 0.1216 1 1
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0559 0.4243 0.4243
Echinococcus granulosus purine nucleoside phosphorylase 0.1216 1 1
Loa Loa (eye worm) glutathione reductase 0.0335 0.2278 0.2923
Echinococcus granulosus tyrosine protein kinase Fyn 0.0559 0.4243 0.4243
Mycobacterium tuberculosis Probable bifunctional MTA/SAH nucleosidase Mtn: 5'-methylthioadenosine nucleosidase (methylthioadenosine methylthioribohydrolase 0.0252 0.1552 0.1235
Echinococcus granulosus thioredoxin glutathione reductase 0.0335 0.2278 0.2278
Echinococcus granulosus tyrosine protein kinase Lyn 0.0559 0.4243 0.4243
Plasmodium vivax thioredoxin reductase, putative 0.0335 0.2278 1
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0252 0.1552 0.1235
Echinococcus multilocularis methylthioadenosine phosphorylase 0.0252 0.1552 0.1552
Echinococcus granulosus tyrosine protein kinase Src42A 0.0486 0.36 0.36
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0505 0.3768 0.3768
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0252 0.1552 0.1235
Trypanosoma cruzi nucleoside phosphorylase, putative 0.0252 0.1552 0.6211
Brugia malayi Variant SH3 domain containing protein 0.011 0.0306 0.0306
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0559 0.4243 0.4243
Trypanosoma brucei uridine phosphorylase 0.0252 0.1552 0.6211
Loa Loa (eye worm) S-methyl-5'-thioadenosine phosphorylase MTAP 0.0252 0.1552 0.1991
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0559 0.4243 0.4243
Giardia lamblia 5-methylthioadenosine nucleosidase, S-adenosylhomocysteine nucleosidase 0.0252 0.1552 0.1235
Echinococcus multilocularis c src tyrosine kinase 0.0129 0.0474 0.0474
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0252 0.1552 0.1235
Trypanosoma cruzi trypanothione reductase, putative 0.0335 0.2278 1
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0085 0.0092 0.0092
Toxoplasma gondii Purine nucleoside phosphorylase 0.0252 0.1552 0.6211
Trypanosoma cruzi methylthioadenosine phosphorylase, putative 0.0252 0.1552 0.6211
Mycobacterium tuberculosis Hypothetical protein 0.0252 0.1552 0.1235
Schistosoma mansoni tyrosine kinase 0.0129 0.0474 0.0474
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0116 0.0362 0.0362
Mycobacterium ulcerans bifunctional Mta/Sah nucleosidase Mtn 0.0252 0.1552 0.1235
Entamoeba histolytica hypothetical protein 0.0252 0.1552 0.4728
Chlamydia trachomatis AMP nucleosidase 0.0252 0.1552 1
Trypanosoma cruzi nucleoside phosphorylase, putative 0.0252 0.1552 0.6211
Echinococcus multilocularis purine nucleoside phosphorylase 0.1216 1 1
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0129 0.0474 0.0474
Leishmania major nucleoside phosphorylase-like protein 0.0252 0.1552 0.6211
Schistosoma mansoni purine nucleoside phosphorylase 0.1216 1 1
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0116 0.0362 0.0362
Brugia malayi glutathione reductase 0.0335 0.2278 0.2278
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0116 0.0362 0.5
Brugia malayi SRC-1 0.0559 0.4243 0.4243
Schistosoma mansoni nck2/grb4 0.011 0.0306 0.0306
Brugia malayi Variant SH3 domain containing protein 0.011 0.0306 0.0306
Mycobacterium ulcerans 5'-methylthioadenosine phosphorylase 0.0252 0.1552 0.1235
Echinococcus granulosus tyrosine kinase 0.0505 0.3768 0.3768
Mycobacterium leprae Probable purine nucleoside phosphorylase DeoD (INOSINE PHOSPHORYLASE) (PNP) 0.1216 1 1
Echinococcus multilocularis tyrosine protein kinase HCK 0.0449 0.3282 0.3282
Echinococcus granulosus purine nucleoside phosphorylase 0.1216 1 1
Echinococcus multilocularis purine nucleoside phosphorylase 0.1216 1 1
Echinococcus multilocularis tyrosine protein kinase Srms 0.0505 0.3768 0.3768
Echinococcus granulosus purine nucleoside phosphorylase 0.1216 1 1
Plasmodium falciparum glutathione reductase 0.0335 0.2278 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0335 0.2278 0.1988
Echinococcus granulosus tyrosine protein kinase HCK 0.0449 0.3282 0.3282
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0559 0.4243 0.4243
Schistosoma mansoni adapter molecule crk 0.011 0.0306 0.0306
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0129 0.0474 0.0474
Echinococcus granulosus purine nucleoside phosphorylase 0.1216 1 1
Giardia lamblia UPL-1 0.0252 0.1552 0.1235
Trichomonas vaginalis conserved hypothetical protein 0.0252 0.1552 0.1235
Schistosoma mansoni uridine phosphorylase 0.0252 0.1552 0.1552
Echinococcus multilocularis purine nucleoside phosphorylase 0.1216 1 1
Mycobacterium leprae probable uridine phosphorylase 0.0252 0.1552 0.1235
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0559 0.4243 0.4243
Echinococcus multilocularis tyrosine protein kinase Blk 0.0505 0.3768 0.3768
Schistosoma mansoni growth factor receptor-bound protein 0.011 0.0306 0.0306
Echinococcus multilocularis purine nucleoside phosphorylase 0.0964 0.7794 0.7794
Echinococcus granulosus inosine guanosine and xanthosine phosphorylase 0.0964 0.7794 0.7794

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) = 25.7 % Inhibition of c-Src at 10 uM by ELISA ChEMBL. 18610999
Inhibition (binding) = 54.5 % Inhibition of EGFR at 10 uM by ELISA ChEMBL. 18610999
Inhibition (binding) = 60.3 % Inhibition of FGFR2 at 10 uM by ELISA ChEMBL. 18610999
Inhibition (binding) = 66.1 % Inhibition of cKit at 10 uM by ELISA ChEMBL. 18610999
Inhibition (binding) = 79.5 % Inhibition of c-Met at 10 uM by ELISA ChEMBL. 18610999
Inhibition (binding) = 86.2 % Inhibition of KDR at 10 uM by ELISA ChEMBL. 18610999
Inhibition (binding) = 93.3 % Inhibition of FGFR1 at 10 uM by ELISA ChEMBL. 18610999

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

1 literature reference was collected for this gene.

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