Detailed information for compound 1208141

Basic information

Technical information
  • TDR Targets ID: 1208141
  • Name: 3-[6,7-dimethoxy-1-[2-[(4-methoxyphenyl)amino ]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(ox olan-2-ylmethyl)propanamide
  • MW: 540.565 | Formula: C27H32N4O8
  • H donors: 2 H acceptors: 4 LogP: 1.28 Rotable bonds: 13
    Rule of 5 violations (Lipinski): 2
  • SMILES: COc1ccc(cc1)NC(=O)Cn1c(=O)n(CCC(=O)NCC2CCCO2)c(=O)c2c1cc(OC)c(c2)OC
  • InChi: 1S/C27H32N4O8/c1-36-18-8-6-17(7-9-18)29-25(33)16-31-21-14-23(38-3)22(37-2)13-20(21)26(34)30(27(31)35)11-10-24(32)28-15-19-5-4-12-39-19/h6-9,13-14,19H,4-5,10-12,15-16H2,1-3H3,(H,28,32)(H,29,33)
  • InChiKey: IBTTUIBZCRAKKB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-[6,7-dimethoxy-1-[2-[(4-methoxyphenyl)amino]-2-oxo-ethyl]-2,4-dioxo-quinazolin-3-yl]-N-(tetrahydrofuran-2-ylmethyl)propanamide
  • 3-[6,7-dimethoxy-1-[2-[(4-methoxyphenyl)amino]-2-oxoethyl]-2,4-dioxo-3-quinazolinyl]-N-(2-tetrahydrofuranylmethyl)propanamide
  • 3-[2,4-diketo-1-[2-keto-2-[(4-methoxyphenyl)amino]ethyl]-6,7-dimethoxy-quinazolin-3-yl]-N-(tetrahydrofurfuryl)propionamide
  • 3-[6,7-dimethoxy-1-[2-[(4-methoxyphenyl)amino]-2-oxo-ethyl]-2,4-dioxo-quinazolin-3-yl]-N-(oxolan-2-ylmethyl)propanamide
  • C191-0490
  • NCGC00104831-01

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 SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Entamoeba histolytica recQ family helicase, 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
Leishmania braziliensis ATP-dependent DEAD/H DNA helicase recQ, putative 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
Theileria parva hypothetical protein 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
Cryptosporidium parvum RecQ bloom helicase (RNA helicase+hrdc) 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
Trypanosoma brucei 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
Echinococcus granulosus bloom syndrome protein 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
Plasmodium falciparum ATP-dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium knowlesi ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Cryptosporidium hominis DEAD/DEAH box helicase Get druggable targets OG5_126644 All targets in OG5_126644
Neospora caninum hypothetical protein 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
Trichomonas vaginalis 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
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, 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
Plasmodium falciparum ADP-dependent DNA helicase RecQ 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
Candida albicans 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
Entamoeba histolytica recQ family DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania donovani 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
Echinococcus multilocularis ATP dependent DNA helicase Q1 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
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, 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
Plasmodium vivax ADP-dependent 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
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium berghei ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Babesia bovis 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
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) RecQ helicase Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium berghei ATP-dependent DNA helicase Q1, putative 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
Treponema pallidum ATP-dependent DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni DNA helicase recq5 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
Leishmania mexicana ATP-dependent DEAD/H DNA helicase recQ, putative 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
Echinococcus granulosus ATP dependent DNA helicase Q5 Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus ATP dependent DNA helicase Q1 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
Loa Loa (eye worm) ATP-dependent DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi Bloom's syndrome protein homolog Get druggable targets OG5_126644 All targets in OG5_126644
Trichomonas vaginalis DNA helicase recq1, putative 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
Theileria parva DNA helicase, 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.2671 1
Loa Loa (eye worm) Smad1 0.001 0.0266 0.0266
Treponema pallidum ATP-dependent DNA helicase 0.0006 0.0000000003529 0.5
Schistosoma mansoni DNA helicase recq1 0.0012 0.042 0.1571
Schistosoma mansoni blooms syndrome DNA helicase 0.0023 0.1201 0.4496
Echinococcus granulosus bloom syndrome protein 0.0029 0.1637 0.57
Schistosoma mansoni smad1 5 8 and 0.001 0.0266 0.0997
Schistosoma mansoni hypothetical protein 0.0043 0.2671 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.042 0.042
Brugia malayi Bloom's syndrome protein homolog 0.0029 0.1637 0.1427
Loa Loa (eye worm) MH2 domain-containing protein 0.001 0.0266 0.0266
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.2671 1
Schistosoma mansoni DNA helicase recq5 0.0012 0.042 0.1571
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0012 0.042 0.0638
Schistosoma mansoni smad1 5 8 and 0.001 0.0266 0.0997
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0012 0.042 0.016
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0012 0.042 0.042
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.9875 0.9875
Entamoeba histolytica recQ family helicase, putative 0.0015 0.0671 0.2514
Echinococcus multilocularis bloom syndrome protein 0.0029 0.1637 0.57
Entamoeba histolytica hypothetical protein 0.0043 0.2671 1
Entamoeba histolytica hypothetical protein 0.0043 0.2671 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.2671 1
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.9875 0.9875
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0015 0.0671 0.5
Trichomonas vaginalis DNA helicase recq, putative 0.0029 0.1637 1
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0012 0.042 0.016
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.002 0.0966 0.5
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0012 0.042 0.4422
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0012 0.042 0.0638
Brugia malayi MH2 domain containing protein 0.0144 0.9875 1
Entamoeba histolytica hypothetical protein 0.0043 0.2671 1
Schistosoma mansoni smad1 5 8 and 0.001 0.0266 0.0997
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0019 0.0949 1
Giardia lamblia Sgs1 DNA helicase, putative 0.0012 0.042 0.5
Brugia malayi hypothetical protein 0.0043 0.2671 0.2503
Schistosoma mansoni Smad4 0.001 0.0266 0.0997
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0015 0.0671 1
Trichomonas vaginalis DNA helicase recq1, putative 0.0029 0.1637 1
Schistosoma mansoni smad 0.001 0.0266 0.0997
Loa Loa (eye worm) RecQ helicase 0.0029 0.1637 0.1637
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0015 0.0671 0.5
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0012 0.042 0.0638
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0012 0.042 0.4422
Loa Loa (eye worm) MH1 domain-containing protein 0.001 0.0266 0.0266
Schistosoma mansoni TGF-beta signal transducer Smad2 0.001 0.0266 0.0997
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0025 0.1385 1
Entamoeba histolytica hypothetical protein 0.0043 0.2671 1
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0012 0.042 0.0638

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.4147 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 2.3109 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 3.9811 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS for Inhibitors of WRN Helicase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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