Detailed information for compound 830887

Basic information

Technical information
  • TDR Targets ID: 830887
  • Name: 3-[5-oxo-4-(phenylmethyl)-[1,2,4]triazolo[4,5 -a]quinazolin-1-yl]-N-propan-2-ylpropanamide
  • MW: 389.45 | Formula: C22H23N5O2
  • H donors: 1 H acceptors: 4 LogP: 2.35 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(NC(=O)CCc1nnc2n1c1ccccc1c(=O)n2Cc1ccccc1)C
  • InChi: 1S/C22H23N5O2/c1-15(2)23-20(28)13-12-19-24-25-22-26(14-16-8-4-3-5-9-16)21(29)17-10-6-7-11-18(17)27(19)22/h3-11,15H,12-14H2,1-2H3,(H,23,28)
  • InChiKey: UZDDCDJMQSXRLO-UHFFFAOYSA-N  

Network

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Synonyms

  • N-isopropyl-3-[5-oxo-4-(phenylmethyl)-[1,2,4]triazolo[4,5-a]quinazolin-1-yl]propanamide
  • 3-[4-(benzyl)-5-keto-[1,2,4]triazolo[4,5-a]quinazolin-1-yl]-N-isopropyl-propionamide
  • 3-[5-oxo-4-(phenylmethyl)-[1,2,4]triazolo[4,5-a]quinazolin-1-yl]-N-propan-2-yl-propanamide
  • ChemDiv3_010867
  • IDI1_028425

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 nervana 2 0.0223 0.6106 0.6096
Echinococcus granulosus nervana 2 0.0185 0.4915 0.4902
Echinococcus granulosus Ca2 transporting ATPase plasma membrane 0.0043 0.0551 0.0528
Brugia malayi Peroxidasin 0.0026 0.0024 0.0024
Schistosoma mansoni sodium/potassium-dependent atpase beta subunit 0.0185 0.4915 0.4902
Echinococcus multilocularis calcium transporting ATPase type 2C member 0.0043 0.0551 0.0528
Schistosoma mansoni transmemberane protein 0.0223 0.6106 0.6096
Brugia malayi Animal haem peroxidase family protein 0.0026 0.0024 0.0024
Echinococcus multilocularis sodium:potassium transporting ATPase subunit 0.0223 0.6106 0.6096
Trypanosoma cruzi calcium motive p-type ATPase, putative 0.0043 0.0551 1
Echinococcus multilocularis plasma membrane calcium transporting ATPase 0.0043 0.0551 0.0528
Leishmania major calcium-transporting ATPase, putative 0.0043 0.0551 1
Schistosoma mansoni ATPase 0.0039 0.0427 0.0404
Echinococcus multilocularis calcium transporting atpase 0.0043 0.0551 0.0528
Onchocerca volvulus 0.011 0.2607 0.4247
Onchocerca volvulus 0.0185 0.4915 0.8042
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0223 0.6106 0.6096
Mycobacterium leprae PROBABLE CATION-TRANSPORTER ATPASE I CTPI 0.0094 0.2121 0.5
Brugia malayi Animal haem peroxidase family protein 0.0026 0.0024 0.0024
Schistosoma mansoni ATPase 0.0039 0.0427 0.0404
Toxoplasma gondii plasma membrane-type Ca(2+)-ATPase A1 PMCAA1 0.0043 0.0551 1
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0349 1 1
Brugia malayi Na,K-ATPase alpha subunit 0.0114 0.273 0.273
Schistosoma mansoni calcium-transporting atpase sarcoplasmic/endoplasmic reticulum type (calcium pump) 0.0043 0.0551 0.0528
Brugia malayi Animal haem peroxidase family protein 0.0026 0.0024 0.0024
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0043 0.0551 1
Plasmodium falciparum calcium-transporting ATPase 0.0043 0.0551 0.5
Echinococcus granulosus nervana 2 0.0223 0.6106 0.6096
Echinococcus multilocularis sarco:endoplasmic reticulum calcium ATPase 0.0039 0.0427 0.0404
Schistosoma mansoni protein tyrosine phosphatase non-receptor type nt1 0.0349 1 1
Echinococcus granulosus nervana 2 0.0185 0.4915 0.4902
Schistosoma mansoni calcium-transporting atpase sarcoplasmic/endoplasmic reticulum type (calcium pump) 0.0043 0.0551 0.0528
Loa Loa (eye worm) hypothetical protein 0.0223 0.6106 0.6096
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0223 0.6106 0.6096
Loa Loa (eye worm) Na,K-ATPase alpha subunit 0.0114 0.273 0.2713
Echinococcus multilocularis Ca2+ transporting ATPase plasma membrane 0.0043 0.0551 0.0528
Echinococcus granulosus calcium transporting ATPase type 2C member 0.0043 0.0551 0.0528
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0043 0.0551 1
Echinococcus granulosus plasma membrane calcium transporting ATPase 0.0043 0.0551 0.0528
Schistosoma mansoni plasma membrane calcium-transporting atpase 0.0043 0.0551 0.0528
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0349 1 1
Trypanosoma cruzi calcium motive p-type ATPase, putative 0.0043 0.0551 1
Leishmania major P-type ATPase, putative 0.0043 0.0551 1
Trypanosoma cruzi plasma membrane Ca2+ ATPase 0.0039 0.0427 0.7455
Schistosoma mansoni sodium/potassium-dependent atpase beta subunit 0.0223 0.6106 0.6096
Trypanosoma brucei vacuolar-type Ca2+-ATPase, putative 0.0039 0.0427 0.7455
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0223 0.6106 0.6096
Brugia malayi Blistered cuticle protein 3 0.0026 0.0024 0.0024
Entamoeba histolytica Plasma membrane calcium-transporting ATPase, putative 0.0039 0.0427 0.7755
Loa Loa (eye worm) hypothetical protein 0.0088 0.1945 0.1926
Echinococcus multilocularis nervana 2 0.0185 0.4915 0.4902
Trypanosoma brucei vacuolar-type Ca2+-ATPase 2 0.0039 0.0427 0.7455
Giardia lamblia Potassium-transporting ATPase alpha chain 1 0.0114 0.273 1
Schistosoma mansoni plasma membrane calcium-transporting atpase 0.0043 0.0551 0.0528
Echinococcus multilocularis Tetracycline resistance leader peptide, TetL 0.0043 0.0551 0.0528
Brugia malayi Animal haem peroxidase family protein 0.0026 0.0024 0.0024
Schistosoma mansoni calcium-transporting atpase 2 (atpase 2) 0.0043 0.0551 0.0528
Schistosoma mansoni na+/k+ atpase alpha subunit 0.0114 0.273 0.2713
Echinococcus granulosus nervana 2 0.0223 0.6106 0.6096
Leishmania major calcium motive p-type ATPase, putative 0.0043 0.0551 1
Loa Loa (eye worm) hypothetical protein 0.0076 0.157 0.155
Entamoeba histolytica Plasma membrane calcium-transporting ATPase, putative 0.0039 0.0427 0.7755
Brugia malayi Calcium-transporting ATPase sarcoplasmic/endoplasmic reticulum type 0.0043 0.0551 0.0551
Trypanosoma cruzi plasma membrane Ca2+ ATPase 0.0039 0.0427 0.7455
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0223 0.6106 0.6096
Trypanosoma brucei vacuolar-type Ca2+-ATPase 1 0.0039 0.0427 0.7455
Loa Loa (eye worm) hypothetical protein 0.0223 0.6106 0.6096
Trypanosoma brucei calcium motive p-type ATPase, putative 0.0043 0.0551 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.0427 0.0404
Loa Loa (eye worm) hypothetical protein 0.0071 0.1394 0.1374
Brugia malayi Animal haem peroxidase family protein 0.0026 0.0024 0.0024
Echinococcus granulosus Na:K ATPase alpha subunit 0.0114 0.273 0.2713
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0185 0.4915 0.4902
Onchocerca volvulus 0.0223 0.6106 1
Plasmodium vivax calcium-transporting ATPase, putative 0.0043 0.0551 0.5
Mycobacterium ulcerans metal cation transporter p-type ATPase a 0.011 0.2607 1
Echinococcus granulosus sarco:endoplasmic reticulum calcium ATPase 0.0039 0.0427 0.0404
Loa Loa (eye worm) sodium/potassium-transporting ATPase subunit alpha 0.0098 0.2244 0.2226
Brugia malayi hypothetical protein 0.0026 0.0024 0.0024
Plasmodium vivax P-type ATPase4, putative 0.0043 0.0551 0.5
Loa Loa (eye worm) calcium-transporting ATPase sarcoplasmic/endoplasmic reticulum type 0.0028 0.0065 0.0041
Entamoeba histolytica Plasma membrane calcium-transporting ATPase, putative 0.0039 0.0427 0.7755
Echinococcus granulosus sodium:potassium transporting ATPase subunit 0.0223 0.6106 0.6096
Schistosoma mansoni sodium/potassium-dependent atpase beta subunit 0.0223 0.6106 0.6096
Trypanosoma cruzi Calcium ATPase SERCA-like 0.0039 0.0427 0.7455
Echinococcus granulosus calcium transporting atpase 0.0043 0.0551 0.0528
Brugia malayi Probable calcium-transporting ATPase KIAA0703 0.0028 0.0065 0.0065
Echinococcus multilocularis Na+:K+ ATPase alpha subunit 0.0114 0.273 0.2713
Entamoeba histolytica calcium-transporting P-type ATPase, putative 0.0043 0.0551 1
Schistosoma mansoni sodium / potassium ATPase beta chain 0.0185 0.4915 0.4902
Loa Loa (eye worm) hypothetical protein 0.0114 0.273 0.2713
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0349 1 1
Brugia malayi Membrane calcium atpase protein 3 0.0043 0.0551 0.0551
Trypanosoma brucei calcium-translocating P-type ATPase 0.0043 0.0551 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0065 0.0041
Echinococcus multilocularis nervana 2 0.0223 0.6106 0.6096
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0185 0.4915 0.4902
Plasmodium falciparum non-SERCA-type Ca2+ -transporting P-ATPase 0.0043 0.0551 0.5
Toxoplasma gondii sarco/endoplasmic reticulum Ca2+-ATPase 0.0043 0.0551 1
Schistosoma mansoni Na+/K+ transporting ATPase subunit alpha 0.0114 0.273 0.2713
Toxoplasma gondii P-type ATPase4, putative 0.0043 0.0551 1
Brugia malayi Sodium/potassium-transporting ATPase alpha chain, putative 0.0098 0.2244 0.2244
Echinococcus multilocularis nervana 2 0.0185 0.4915 0.4902
Echinococcus granulosus plasma membrane calcium transporting ATPase 2 0.0043 0.0551 0.0528

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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