Detailed information for compound 1818687

Basic information

Technical information
  • TDR Targets ID: 1818687
  • Name: 4-[3-(2,4-dioxoquinazolin-1-yl)propanoylamino ]benzamide
  • MW: 352.344 | Formula: C18H16N4O4
  • H donors: 3 H acceptors: 4 LogP: 0.31 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccc(cc1)C(=O)N)CCn1c(=O)[nH]c(=O)c2c1cccc2
  • InChi: 1S/C18H16N4O4/c19-16(24)11-5-7-12(8-6-11)20-15(23)9-10-22-14-4-2-1-3-13(14)17(25)21-18(22)26/h1-8H,9-10H2,(H2,19,24)(H,20,23)(H,21,25,26)
  • InChiKey: NJZQBHKXJIICMZ-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 4-[[3-(2,4-dioxo-1-quinazolinyl)-1-oxopropyl]amino]benzamide
  • 4-[3-(2,4-diketoquinazolin-1-yl)propanoylamino]benzamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens poly (ADP-ribose) polymerase 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma cruzi poly(ADP-ribose) polymerase, putative Get druggable targets OG5_128423 All targets in OG5_128423
Schistosoma japonicum Poly [ADP-ribose] polymerase 1, putative Get druggable targets OG5_128423 All targets in OG5_128423
Echinococcus granulosus poly (ADP ribose) polymerase Get druggable targets OG5_128423 All targets in OG5_128423
Echinococcus granulosus poly (ADP ribose) polymerase Get druggable targets OG5_128423 All targets in OG5_128423
Schistosoma japonicum Poly [ADP-ribose] polymerase 2, putative Get druggable targets OG5_128423 All targets in OG5_128423
Echinococcus granulosus WGR domain containing protein Get druggable targets OG5_128423 All targets in OG5_128423
Echinococcus granulosus poly (ADP ribose) polymerase Get druggable targets OG5_128423 All targets in OG5_128423
Brugia malayi WGR domain containing protein Get druggable targets OG5_128423 All targets in OG5_128423
Echinococcus multilocularis poly (ADP ribose) polymerase Get druggable targets OG5_128423 All targets in OG5_128423
Schistosoma japonicum Poly [ADP-ribose] polymerase 2-A, putative Get druggable targets OG5_128423 All targets in OG5_128423
Neospora caninum hypothetical protein Get druggable targets OG5_128423 All targets in OG5_128423
Loa Loa (eye worm) poly(ADP-ribose) polymerase Get druggable targets OG5_128423 All targets in OG5_128423
Echinococcus multilocularis poly (adp ribose) polymerase 2 Get druggable targets OG5_128423 All targets in OG5_128423
Echinococcus multilocularis poly (ADP ribose) polymerase 1 Get druggable targets OG5_128423 All targets in OG5_128423
Entamoeba histolytica poly(ADP-ribose) polymerase, putative Get druggable targets OG5_128423 All targets in OG5_128423
Schistosoma mansoni poly [ADP-ribose] polymerase Get druggable targets OG5_128423 All targets in OG5_128423
Entamoeba histolytica hypothetical protein Get druggable targets OG5_128423 All targets in OG5_128423
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128423 All targets in OG5_128423
Schistosoma mansoni poly [ADP-ribose] polymerase Get druggable targets OG5_128423 All targets in OG5_128423
Trypanosoma brucei gambiense poly(ADP-ribose) polymerase, putative Get druggable targets OG5_128423 All targets in OG5_128423
Schistosoma japonicum ko:K00774 NAD ADP-ribosyltransferase [EC2.4.2.30], putative Get druggable targets OG5_128423 All targets in OG5_128423
Echinococcus granulosus poly ADP ribose polymerase 1 Get druggable targets OG5_128423 All targets in OG5_128423
Trypanosoma brucei poly(adp-ribose) polymerase Get druggable targets OG5_128423 All targets in OG5_128423
Trypanosoma cruzi poly(ADP-ribose) polymerase, putative Get druggable targets OG5_128423 All targets in OG5_128423
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128423 All targets in OG5_128423
Schistosoma mansoni poly [ADP-ribose] polymerase Get druggable targets OG5_128423 All targets in OG5_128423
Schistosoma japonicum Poly [ADP-ribose] polymerase 1, putative Get druggable targets OG5_128423 All targets in OG5_128423
Trypanosoma congolense poly(ADP-ribose) polymerase, putative Get druggable targets OG5_128423 All targets in OG5_128423
Brugia malayi WGR domain containing protein Get druggable targets OG5_128423 All targets in OG5_128423
Toxoplasma gondii poly(ADP-ribose) polymerase catalytic domain-containing protein Get druggable targets OG5_128423 All targets in OG5_128423
Schistosoma japonicum Poly [ADP-ribose] polymerase 2, putative Get druggable targets OG5_128423 All targets in OG5_128423
Echinococcus granulosus poly adp ribose polymerase 2 Get druggable targets OG5_128423 All targets in OG5_128423

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 granulosus calcium:calmodulin dependent protein kinase 0.0825 0.6495 1
Echinococcus multilocularis protein kinase c epsilon type 0.0425 0.3128 0.4522
Echinococcus granulosus protein kinase c epsilon type 0.0425 0.3128 0.4817
Echinococcus multilocularis serine threonine protein kinase 0.0425 0.3128 0.4522
Schistosoma mansoni serine/threonine kinase 0.0425 0.3128 0.4617
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.1241 1 1
Loa Loa (eye worm) AGC/NDR protein kinase 0.0425 0.3128 0.3043
Echinococcus granulosus serine/threonine protein kinase 0.0825 0.6495 1
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0816 0.6417 0.9881
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0825 0.6495 1
Schistosoma mansoni serine/threonine-protein kinase 0.0825 0.6495 1
Plasmodium vivax rac-beta serine/threonine protein kinase, putative 0.0825 0.6495 0.5
Entamoeba histolytica protein kinase, putative 0.1241 1 1
Schistosoma mansoni serine/threonine protein kinase 0.0425 0.3128 0.4617
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.0425 0.3128 0.4817
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0825 0.6495 1
Loa Loa (eye worm) hypothetical protein 0.0095 0.0349 0.023
Echinococcus multilocularis ribosomal protein s6 kinase beta 1 0.0425 0.3128 0.4522
Echinococcus multilocularis serine threonine protein kinase nrc serine threonine protein kinase gad 0.0825 0.6495 1
Brugia malayi Protein kinase domain containing protein 0.0425 0.3128 0.288
Trichomonas vaginalis AGC family protein kinase 0.1241 1 1
Echinococcus granulosus poly adp ribose polymerase 2 0.0095 0.0349 0.0538
Echinococcus granulosus poly ADP ribose polymerase 1 0.0174 0.1008 0.1552
Schistosoma mansoni serine/threonine-protein kinase 0.0825 0.6495 1
Entamoeba histolytica protein kinase 2, putative 0.0825 0.6495 0.6102
Echinococcus granulosus Protein kinase C brain isozyme 0.0425 0.3128 0.4817
Trichomonas vaginalis AGC family protein kinase 0.1241 1 1
Toxoplasma gondii AGC kinase 0.1241 1 1
Schistosoma mansoni poly [ADP-ribose] polymerase 0.0174 0.1008 0.1227
Entamoeba histolytica protein kinase, putative 0.1241 1 1
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0425 0.3128 0.4522
Trichomonas vaginalis AGC family protein kinase 0.1241 1 1
Trichomonas vaginalis AGC family protein kinase 0.1241 1 1
Echinococcus multilocularis nervana 2 0.0816 0.6417 0.9874
Loa Loa (eye worm) hypothetical protein 0.0132 0.0659 0.0543
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0425 0.3128 0.3043
Schistosoma mansoni serine/threonine protein kinase 0.0425 0.3128 0.4617
Echinococcus multilocularis poly (ADP ribose) polymerase 1 0.0174 0.1008 0.1072
Echinococcus multilocularis Ribosomal protein S6 kinase beta 2 0.0425 0.3128 0.4522
Echinococcus granulosus nervana 2 0.0816 0.6417 0.9881
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.0425 0.3128 0.3043
Entamoeba histolytica PH domain containing protein kinase, putative 0.0825 0.6495 0.6102
Schistosoma mansoni atypical protein kinase C 0.0425 0.3128 0.4617
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0425 0.3128 0.3043
Loa Loa (eye worm) AGC/PKN protein kinase 0.0425 0.3128 0.3043
Trichomonas vaginalis AGC family protein kinase 0.1241 1 1
Schistosoma mansoni poly [ADP-ribose] polymerase 0.0095 0.0349 0.0173
Trypanosoma cruzi Protein kinase B 0.0825 0.6495 1
Schistosoma mansoni serine/threonine protein kinase 0.0425 0.3128 0.4617
Echinococcus granulosus serine:threonine protein kinase N2 0.0425 0.3128 0.4817
Loa Loa (eye worm) AGC/AKT protein kinase 0.1241 1 1
Giardia lamblia Kinase, AGC PKA 0.0825 0.6495 0.5
Echinococcus multilocularis serine:threonine protein kinase 38 0.0425 0.3128 0.4522
Brugia malayi WGR domain containing protein 0.0174 0.1008 0.0683
Brugia malayi Protein kinase domain containing protein 0.0425 0.3128 0.288
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.0425 0.3128 0.4522
Entamoeba histolytica protein kinase, putative 0.0425 0.3128 0.2358
Echinococcus multilocularis protein kinase c iota type 0.0425 0.3128 0.4522
Echinococcus multilocularis Glutaredoxin protein 5 0.0816 0.6417 0.9874
Brugia malayi Hr1 repeat family protein 0.0425 0.3128 0.288
Schistosoma mansoni serine/threonine protein kinase 0.0425 0.3128 0.4617
Plasmodium falciparum RAC-beta serine/threonine protein kinase 0.0825 0.6495 0.5
Trichomonas vaginalis AGC family protein kinase 0.1241 1 1
Loa Loa (eye worm) hypothetical protein 0.0425 0.3128 0.3043
Trichomonas vaginalis AGC family protein kinase 0.0425 0.3128 0.0111
Entamoeba histolytica protein kinase, putative 0.1241 1 1
Entamoeba histolytica PH domain containing protein kinase, putative 0.0825 0.6495 0.6102
Brugia malayi protein kinase C II. 0.0425 0.3128 0.288
Trichomonas vaginalis AGC family protein kinase 0.0425 0.3128 0.0111
Trichomonas vaginalis AGC family protein kinase 0.1241 1 1
Trichomonas vaginalis AGC family protein kinase 0.0425 0.3128 0.0111
Echinococcus multilocularis nervana 2 0.0816 0.6417 0.9874
Schistosoma mansoni serine/threonine protein kinase 0.0425 0.3128 0.4617
Schistosoma mansoni serine/threonine protein kinase 0.0425 0.3128 0.4617
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0816 0.6417 0.9874
Schistosoma mansoni serine/threonine protein kinase 0.0425 0.3128 0.4617
Echinococcus multilocularis rac serine:threonine kinase 0.0825 0.6495 1
Echinococcus granulosus nervana 2 0.0816 0.6417 0.9881
Echinococcus granulosus Glutaredoxin protein 5 0.0816 0.6417 0.9881
Trypanosoma brucei rac serine-threonine kinase, putative 0.1241 1 1
Echinococcus granulosus Ribosomal protein S6 kinase beta 2 0.0425 0.3128 0.4817
Echinococcus granulosus protein kinase C gamma type 0.0425 0.3128 0.4817
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.0425 0.3128 0.3043
Echinococcus granulosus NDR protein kinase 0.0425 0.3128 0.4817
Echinococcus multilocularis serine:threonine protein kinase N2 0.0425 0.3128 0.4522
Brugia malayi Protein kinase domain containing protein 0.1241 1 1
Echinococcus multilocularis serine:threonine protein kinase N2 0.0425 0.3128 0.4522
Echinococcus granulosus protein kinase c iota type 0.0425 0.3128 0.4817
Echinococcus granulosus ribosomal protein s6 kinase beta 1 0.0425 0.3128 0.4817
Trichomonas vaginalis AGC family protein kinase 0.0425 0.3128 0.0111
Echinococcus granulosus serine threonine protein kinase nrc 0.0825 0.6495 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 130 nM Inhibition of GST-tagged recombinant human PARP-1 expressed in Escherichia coli after 30 mins by fluorescence-based assay ChEMBL. 24388690

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.