Detailed information for compound 1902658

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 440.486 | Formula: C25H28O7
  • H donors: 2 H acceptors: 4 LogP: 4.98 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCc1cc2c(cc1OCC(COc1ccccc1CCC)O)oc(cc2=O)C(=O)O
  • InChi: 1S/C25H28O7/c1-3-7-16-9-5-6-10-21(16)30-14-18(26)15-31-22-13-23-19(11-17(22)8-4-2)20(27)12-24(32-23)25(28)29/h5-6,9-13,18,26H,3-4,7-8,14-15H2,1-2H3,(H,28,29)
  • InChiKey: UYJPUBBNXVJIGE-UHFFFAOYSA-N  


Substructure search Similarity search

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
Echinococcus multilocularis RUN 0.002 0.0124 0.0218
Mycobacterium tuberculosis Probable oxidoreductase 0.0121 0.3848 0.3848
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0728 0.128
Schistosoma mansoni lipoxygenase 0.0083 0.2456 0.4316
Schistosoma mansoni terminal deoxycytidyl transferase 0.002 0.0108 0.019
Brugia malayi hypothetical protein 0.0036 0.0728 0.6341
Mycobacterium tuberculosis Probable reductase 0.0109 0.3401 0.3401
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0017 0 0.5
Echinococcus multilocularis Polycystic kidney disease protein 0.002 0.0124 0.0218
Entamoeba histolytica hypothetical protein 0.0036 0.0728 1
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0108 0.0943
Echinococcus multilocularis lipoxygenase domain containing protein 0.002 0.0124 0.0218
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.002 0.0108 0.019
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0109 0.3401 0.3401
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0108 0.0943
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0728 0.128
Loa Loa (eye worm) glutathione reductase 0.0048 0.1149 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0109 0.3401 0.3401
Echinococcus multilocularis dna polymerase eta 0.002 0.0108 0.019
Plasmodium falciparum thioredoxin reductase 0.0048 0.1149 0.1149
Plasmodium falciparum nicotinamide/nicotinic acid mononucleotide adenylyltransferase 0.0289 1 1
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0108 0.0943
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0017 0 0.5
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0108 0.0943
Echinococcus granulosus geminin 0.0172 0.5691 1
Trypanosoma brucei unspecified product 0.002 0.0108 0.0943
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0108 0.0943
Echinococcus multilocularis dna polymerase kappa 0.002 0.0108 0.019
Schistosoma mansoni loxhd1 0.002 0.0124 0.0218
Entamoeba histolytica hypothetical protein 0.0036 0.0728 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0121 0.3848 0.3848
Echinococcus multilocularis lipoxygenase domain containing protein 0.002 0.0124 0.0218
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0119 0.3776 0.6635
Schistosoma mansoni rab6-interacting 0.002 0.0124 0.0218
Loa Loa (eye worm) thioredoxin reductase 0.0048 0.1149 1
Echinococcus granulosus Polycystic kidney disease protein 0.002 0.0124 0.0218
Mycobacterium tuberculosis Conserved hypothetical protein 0.002 0.0108 0.0108
Plasmodium vivax thioredoxin reductase, putative 0.0048 0.1149 0.1149
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0108 0.0943
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0108 0.0943
Loa Loa (eye worm) hypothetical protein 0.002 0.0124 0.0149
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0048 0.1149 0.1149
Schistosoma mansoni DNA polymerase eta 0.002 0.0108 0.019
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0108 0.0943
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0108 0.0943
Schistosoma mansoni polycystin 1-related 0.002 0.0124 0.0218
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0121 0.3848 0.3848
Toxoplasma gondii thioredoxin reductase 0.0048 0.1149 1
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.002 0.0108 0.0108
Trypanosoma cruzi DNA polymerase eta, putative 0.002 0.0108 0.0943
Schistosoma mansoni hypothetical protein 0.002 0.0124 0.0218
Mycobacterium ulcerans DNA polymerase IV 0.002 0.0108 0.0108
Leishmania major DNA polymerase eta, putative 0.002 0.0108 0.0943
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0728 0.128
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.002 0.0108 0.0943
Echinococcus granulosus dna polymerase kappa 0.002 0.0108 0.019
Leishmania major trypanothione reductase 0.0048 0.1149 1
Mycobacterium ulcerans DNA polymerase IV 0.002 0.0108 0.0108
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0108 0.0943
Treponema pallidum hypothetical protein 0.0289 1 1
Trypanosoma brucei trypanothione reductase 0.0048 0.1149 1
Entamoeba histolytica hypothetical protein 0.0036 0.0728 1
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0108 0.0943
Mycobacterium ulcerans bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein 0.0289 1 1
Trypanosoma brucei DNA polymerase eta, putative 0.002 0.0108 0.0943
Plasmodium falciparum glutathione reductase 0.0048 0.1149 0.1149
Trypanosoma cruzi trypanothione reductase, putative 0.0048 0.1149 1
Leishmania major DNA polymerase kappa, putative 0.002 0.0108 0.0943
Schistosoma mansoni hypothetical protein 0.0036 0.0728 0.128
Plasmodium vivax multidomain scavenger receptor, putative 0.002 0.0124 0.0124
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0108 0.0943
Loa Loa (eye worm) hypothetical protein 0.002 0.0124 0.0149
Plasmodium vivax glutathione reductase, putative 0.0048 0.1149 0.1149
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0108 0.0943
Plasmodium falciparum LCCL domain-containing protein 0.002 0.0124 0.0124
Schistosoma mansoni hypothetical protein 0.0172 0.5691 1
Trichomonas vaginalis DNA polymerase eta, putative 0.002 0.0108 1
Plasmodium vivax nicotinate-nucleotide adenylyltransferase, putative 0.0289 1 1
Loa Loa (eye worm) doublecortin family protein 0.002 0.0124 0.0149
Mycobacterium tuberculosis Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic 0.0289 1 1
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0119 0.3776 0.6635
Brugia malayi hypothetical protein 0.002 0.0124 0.1078
Brugia malayi Thioredoxin reductase 0.0048 0.1149 1
Giardia lamblia DINP protein human, muc B family 0.002 0.0108 1
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0017 0 0.5
Echinococcus multilocularis geminin 0.0172 0.5691 1
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0108 0.0943
Schistosoma mansoni lipoxygenase 0.0119 0.3776 0.6635
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.002 0.0108 0.019
Onchocerca volvulus 0.002 0.0124 0.5
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0109 0.3401 0.3401
Echinococcus granulosus lipoxygenase domain containing protein 0.002 0.0124 0.0218
Echinococcus granulosus lipoxygenase domain containing protein 0.002 0.0124 0.0218
Echinococcus multilocularis thioredoxin glutathione reductase 0.0048 0.1149 0.2019
Echinococcus granulosus RUN 0.002 0.0124 0.0218
Schistosoma mansoni hypothetical protein 0.0172 0.5691 1
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.002 0.0108 1
Brugia malayi hypothetical protein 0.002 0.0124 0.1078
Onchocerca volvulus 0.002 0.0124 0.5
Echinococcus granulosus thioredoxin glutathione reductase 0.0048 0.1149 0.2019
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0108 0.0943
Brugia malayi Doublecortin family protein 0.002 0.0124 0.1078
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.002 0.0108 0.019
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0108 0.0943
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0108 0.0943
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0108 0.0943
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0109 0.3401 0.3401
Entamoeba histolytica hypothetical protein 0.0036 0.0728 1
Schistosoma mansoni rab6-interacting 0.002 0.0124 0.0218
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0108 0.0943
Mycobacterium tuberculosis Probable dehydrogenase 0.0109 0.3401 0.3401
Echinococcus granulosus dna polymerase eta 0.002 0.0108 0.019
Brugia malayi glutathione reductase 0.0048 0.1149 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0121 0.3848 0.0678

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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