Detailed information for compound 1550136

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 517.576 | Formula: C28H31N5O5
  • H donors: 2 H acceptors: 3 LogP: 4.06 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=CNc1cc(cn2c1ncc2c1cc(OC)c(c(c1)OC)OC)c1cccc(c1)C(=O)NCCN(C)C
  • InChi: 1S/C28H31N5O5/c1-32(2)10-9-29-28(35)19-8-6-7-18(11-19)21-12-22(31-17-34)27-30-15-23(33(27)16-21)20-13-24(36-3)26(38-5)25(14-20)37-4/h6-8,11-17H,9-10H2,1-5H3,(H,29,35)(H,31,34)
  • InChiKey: UQZSUUYOFKMTNU-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens Werner syndrome, RecQ helicase-like Starlite/ChEMBL No references
Homo sapiens RAD54-like (S. cerevisiae) Starlite/ChEMBL No references
Homo sapiens RAD52 homolog (S. cerevisiae) Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Theileria parva DNA helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis dna repair and recombination protein rad54 Get druggable targets OG5_127098 All targets in OG5_127098
Leishmania donovani ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Entamoeba histolytica DNA repair and recombination protein RAD52, putative Get druggable targets OG5_130806 All targets in OG5_130806
Trypanosoma brucei gambiense DNA repair and recombination protein RAD54, putative Get druggable targets OG5_127098 All targets in OG5_127098
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania major DNA repair and recombination protein RAD54, putative Get druggable targets OG5_127098 All targets in OG5_127098
Cryptosporidium parvum RecQ bloom helicase (RNA helicase+hrdc) Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis ATP dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Babesia bovis ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Trichomonas vaginalis DNA helicase recq, putative Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum ATP-dependent RNA helicase DDX1, putative Get druggable targets OG5_127098 All targets in OG5_127098
Plasmodium knowlesi ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Cryptosporidium parvum RAD54 like SWI/SNF2 ATpase Get druggable targets OG5_127098 All targets in OG5_127098
Treponema pallidum ATP-dependent DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma brucei gambiense ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis dna repair and recombination protein rad54 Get druggable targets OG5_127098 All targets in OG5_127098
Trichomonas vaginalis DNA helicase recq1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Entamoeba histolytica recQ family DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) type III restriction enzyme Get druggable targets OG5_127098 All targets in OG5_127098
Schistosoma japonicum DNA repair and recombination protein RAD54-like, putative Get druggable targets OG5_127098 All targets in OG5_127098
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania infantum ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni blooms syndrome DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis ATP dependent DNA helicase Q5 Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127098 All targets in OG5_127098
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127098 All targets in OG5_127098
Plasmodium falciparum ADP-dependent DNA helicase RecQ Get druggable targets OG5_126644 All targets in OG5_126644
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Theileria parva DNA repair protein rad54, putative Get druggable targets OG5_127098 All targets in OG5_127098
Entamoeba histolytica recQ family helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus SPRY domain containing protein Get druggable targets OG5_127098 All targets in OG5_127098
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum IPR000299,Band 4.1,domain-containing Get druggable targets OG5_127098 All targets in OG5_127098
Plasmodium knowlesi DNA repair and recombination protein RAD54, putative Get druggable targets OG5_127098 All targets in OG5_127098
Plasmodium berghei ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Giardia lamblia Sgs1 DNA helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Neospora caninum hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum Bloom syndrome protein homolog, putative Get druggable targets OG5_126644 All targets in OG5_126644
Candida albicans DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Giardia lamblia DNA repair protein RAD52 Get druggable targets OG5_130806 All targets in OG5_130806
Brugia malayi Bloom's syndrome protein homolog Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis bloom syndrome protein Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum ko:K01529 RAD54L, GdRAD54; RAD54-like [EC:3.6.1.-], putative Get druggable targets OG5_127098 All targets in OG5_127098
Trypanosoma cruzi DNA repair and recombination protein RAD54, putative Get druggable targets OG5_127098 All targets in OG5_127098
Candida albicans similar to S. cerevisiae DNA-dependent ATPase required for x-ray damage repair and recombination Get druggable targets OG5_127098 All targets in OG5_127098
Candida albicans similar to S. cerevisiae RAD52 (YML032C) dsDNA break repair annealing factor Get druggable targets OG5_130806 All targets in OG5_130806
Echinococcus granulosus DNA repair and recombination protein RAD54B Get druggable targets OG5_127098 All targets in OG5_127098
Schistosoma japonicum DNA repair and recombination protein RAD54B, putative Get druggable targets OG5_127098 All targets in OG5_127098
Entamoeba histolytica DNA repair protein, putative Get druggable targets OG5_127098 All targets in OG5_127098
Trypanosoma brucei DNA repair and recombination protein RAD54, putative Get druggable targets OG5_127098 All targets in OG5_127098
Neospora caninum hypothetical protein Get druggable targets OG5_127098 All targets in OG5_127098
Plasmodium falciparum DNA repair and recombination protein RAD54, putative Get druggable targets OG5_127098 All targets in OG5_127098
Plasmodium berghei ATP-dependent DNA helicase Q1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Candida albicans Putative helicase similar to RAD54 Get druggable targets OG5_127098 All targets in OG5_127098
Babesia bovis DNA repair and recombination protein RAD54-like, putative Get druggable targets OG5_127098 All targets in OG5_127098
Echinococcus multilocularis dna repair and recombination protein rad54 Get druggable targets OG5_127098 All targets in OG5_127098
Loa Loa (eye worm) RecQ helicase Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium berghei DNA repair and recombination protein RAD54, putative Get druggable targets OG5_127098 All targets in OG5_127098
Trichomonas vaginalis DNA helicase recq, putative Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni DNA helicase recq1 Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127098 All targets in OG5_127098
Echinococcus granulosus SPRY domain containing protein Get druggable targets OG5_127098 All targets in OG5_127098
Plasmodium yoelii DNA repair protein RAD54-like-related Get druggable targets OG5_127098 All targets in OG5_127098
Echinococcus granulosus dna repair and recombination protein rad54 Get druggable targets OG5_127098 All targets in OG5_127098
Echinococcus multilocularis Get druggable targets OG5_127098 All targets in OG5_127098
Brugia malayi recombination factor GdRad54 Get druggable targets OG5_127098 All targets in OG5_127098
Cryptosporidium hominis DEAD/DEAH box helicase Get druggable targets OG5_126644 All targets in OG5_126644
Entamoeba histolytica DNA repair protein, putative Get druggable targets OG5_127098 All targets in OG5_127098
Candida albicans DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis SPRY domain containing protein Get druggable targets OG5_127098 All targets in OG5_127098
Trypanosoma congolense DNA repair and recombination protein RAD54, putative Get druggable targets OG5_127098 All targets in OG5_127098
Echinococcus multilocularis Get druggable targets OG5_127098 All targets in OG5_127098
Leishmania braziliensis ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127098 All targets in OG5_127098
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium yoelii ATP-dependent DNA helicase-related Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium yoelii ATP-dependent DNA helicase recQ-related Get druggable targets OG5_126644 All targets in OG5_126644
Candida albicans similar to S. cerevisiae DNA-dependent ATPase required for x-ray damage repair and recombination Get druggable targets OG5_127098 All targets in OG5_127098
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania braziliensis DNA repair and recombination protein RAD54, putative Get druggable targets OG5_127098 All targets in OG5_127098
Theileria parva hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma cruzi DNA repair and recombination protein RAD54, putative Get druggable targets OG5_127098 All targets in OG5_127098
Schistosoma mansoni DNA repair and recombination protein rad54-related Get druggable targets OG5_127098 All targets in OG5_127098
Neospora caninum hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni DNA repair and recombination protein rad54-related Get druggable targets OG5_127098 All targets in OG5_127098
Echinococcus multilocularis SPRY domain containing protein Get druggable targets OG5_127098 All targets in OG5_127098
Plasmodium vivax DNA repair protein RAD54, putative Get druggable targets OG5_127098 All targets in OG5_127098
Cryptosporidium hominis DNA repair protein RAD54-like Get druggable targets OG5_127098 All targets in OG5_127098
Echinococcus granulosus bloom syndrome protein Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium knowlesi ATP-dependent DNA helicase Q1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi Type III restriction enzyme, res subunit family protein Get druggable targets OG5_127098 All targets in OG5_127098
Echinococcus granulosus SPRY domain containing protein Get druggable targets OG5_127098 All targets in OG5_127098
Candida albicans Putative helicase similar to RAD54 Get druggable targets OG5_127098 All targets in OG5_127098
Echinococcus granulosus ATP dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus ATP dependent DNA helicase Q5 Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania mexicana ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium falciparum ATP-dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania donovani DNA repair and recombination protein RAD54, putative Get druggable targets OG5_127098 All targets in OG5_127098
Schistosoma mansoni DNA helicase recq5 Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum ko:K03654 ATP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania infantum DNA repair and recombination protein RAD54, putative Get druggable targets OG5_127098 All targets in OG5_127098
Leishmania mexicana DNA repair and recombination protein RAD54, putative Get druggable targets OG5_127098 All targets in OG5_127098
Candida albicans similar to S. cerevisiae RAD52 (YML032C) dsDNA break repair annealing factor Get druggable targets OG5_130806 All targets in OG5_130806
Loa Loa (eye worm) ATP-dependent DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Babesia bovis ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Leishmania major hypothetical protein, conserved RAD54-like (S. cerevisiae) 747 aa 633 aa 24.2 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0012 0.0142 0.1206
Entamoeba histolytica DNA repair protein, putative 0.001 0.0086 0.0086
Echinococcus granulosus dna repair and recombination protein rad54 0.001 0.0086 0.0004
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.002 0.0326 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0085 0.0253
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0015 0.0227 1
Echinococcus granulosus DNA repair and recombination protein RAD54B 0.001 0.0086 0.0004
Giardia lamblia DNA repair protein RAD52 0.042 1 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0142 0.042
Loa Loa (eye worm) hypothetical protein 0.001 0.0085 0.0253
Echinococcus granulosus bloom syndrome protein 0.0029 0.0553 1
Entamoeba histolytica Rad52/22 family double-strand break repair protein, putative 0.0119 0.274 0.274
Trichomonas vaginalis DNA helicase recq, putative 0.0029 0.0553 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0086 0.0253
Entamoeba histolytica recQ family helicase, putative 0.0015 0.0227 0.0227
Trypanosoma cruzi DNA repair and recombination protein RAD54, putative 0.001 0.0086 0.3771
Loa Loa (eye worm) hypothetical protein 0.001 0.0086 0.0253
Schistosoma mansoni blooms syndrome DNA helicase 0.0023 0.0406 1
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0012 0.0142 0.1206
Entamoeba histolytica DNA repair protein, putative 0.001 0.0086 0.0086
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0012 0.0142 0.1203
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0012 0.0142 0.1206
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0012 0.0142 0.042
Echinococcus multilocularis dna repair and recombination protein rad54 0.001 0.0086 0.0004
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0012 0.0142 0.4422
Treponema pallidum ATP-dependent DNA helicase 0.0006 0.00000000043732 0.5
Brugia malayi Bloom's syndrome protein homolog 0.0029 0.0553 1
Schistosoma mansoni DNA helicase recq1 0.0012 0.0142 0.3494
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0015 0.0227 1
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0015 0.0227 1
Echinococcus multilocularis 0.001 0.0086 0.0004
Schistosoma mansoni DNA helicase recq5 0.0012 0.0142 0.3494
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.0012 0.0142 0.147
Schistosoma mansoni DNA repair and recombination protein rad54-related 0.001 0.0086 0.2109
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0012 0.0142 0.1206
Loa Loa (eye worm) RecQ helicase 0.0029 0.0553 0.1637
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0012 0.0142 0.4422
Loa Loa (eye worm) type III restriction enzyme 0.001 0.0086 0.0253
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0025 0.0468 1
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0012 0.0142 0.1203
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0019 0.0321 1
Loa Loa (eye worm) hypothetical protein 0.0146 0.338 1
Trichomonas vaginalis DNA helicase recq1, putative 0.0029 0.0553 1
Echinococcus multilocularis bloom syndrome protein 0.0029 0.0553 1
Schistosoma mansoni DNA repair and recombination protein rad54-related 0.001 0.0086 0.2109
Entamoeba histolytica hypothetical protein 0.0119 0.274 0.274
Trypanosoma cruzi DNA repair and recombination protein RAD54, putative 0.001 0.0086 0.3771

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) = 3.07 uM PubChem BioAssay. FRET-based HTS for detection of RAD52 Inhibitors Measured in Biochemical System Using Plate Reader - 7018-01_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) ChEMBL. No reference
AC50 (functional) 8.57 uM PubChem BioAssay. Identification of Inhibitors of RAD54 Measured in Biochemical System Using Plate Reader - 2159-01_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.9526 uM PubChem BioAssay. qHTS for Inhibitors of WRN Helicase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] 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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