Detailed information for compound 1804869

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 397.421 | Formula: C22H23NO6
  • H donors: 0 H acceptors: 2 LogP: 3.84 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CON(c1ccccc1COc1ccc2c(c1C)oc(=O)c(c2C)C)C(=O)OC
  • InChi: 1S/C22H23NO6/c1-13-14(2)21(24)29-20-15(3)19(11-10-17(13)20)28-12-16-8-6-7-9-18(16)23(27-5)22(25)26-4/h6-11H,12H2,1-5H3
  • InChiKey: RSTMKZZZWMHSPN-UHFFFAOYSA-N  

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
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0 0.5
Trypanosoma brucei protein kinase, putative 0.0051 0.1214 1
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0051 0.1214 0.1214
Entamoeba histolytica hypothetical protein 0.0036 0.0653 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.1173 0.1173
Echinococcus granulosus mitogen activated protein kinase 0.0051 0.1214 0.4261
Giardia lamblia Kinase, CMGC MAPK 0.0051 0.1214 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.1173 0.1173
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0653 0.2291
Schistosoma mansoni hypothetical protein 0.0036 0.0653 0.2291
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.1019 0.1019
Brugia malayi MAP kinase sur-1 0.0051 0.1214 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0582 0.4791
Brugia malayi hypothetical protein 0.0036 0.0653 0.5378
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.1019 0.8391
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.1214 1
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0051 0.1214 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.1019 0.3575
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0051 0.1214 1
Plasmodium vivax hypothetical protein, conserved 0.0029 0.0388 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0051 0.1214 1
Entamoeba histolytica hypothetical protein 0.0036 0.0653 1
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0029 0.0388 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.0582 0.0582
Entamoeba histolytica hypothetical protein 0.0036 0.0653 1
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.1214 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0653 0.2291
Schistosoma mansoni hypothetical protein 0.0034 0.0582 0.2042
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.1019 0.3575
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.1214 1
Schistosoma mansoni serine/threonine protein kinase 0.0051 0.1214 0.4261
Echinococcus multilocularis mitogen activated protein kinase 3 0.0051 0.1214 0.4261
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.1019 0.3575
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0018 0 0.5
Echinococcus granulosus mitogen activated protein kinase 3 0.0051 0.1214 0.4261
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1019 0.3575
Entamoeba histolytica hypothetical protein 0.0036 0.0653 1
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0051 0.1214 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1019 0.3575
Loa Loa (eye worm) hypothetical protein 0.0094 0.2849 0.2849
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0051 0.1214 1
Schistosoma mansoni beta-galactosidase 0.0094 0.2849 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1019 0.3575
Echinococcus multilocularis beta galactosidase 0.0094 0.2849 1
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0653 0.2291
Echinococcus multilocularis mitogen activated protein kinase 0.0051 0.1214 0.4261
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.1173 0.9659
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0051 0.1214 1
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.1214 1
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0051 0.1214 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0018 0 0.5
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0051 0.1214 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.1173 0.9659
Echinococcus granulosus beta galactosidase 0.0094 0.2849 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.1019 0.3575

Activities

No activities found for this compound.

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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