Detailed information for compound 836467

Basic information

Technical information
  • TDR Targets ID: 836467
  • Name: 1-(2,5-dimethoxyphenyl)-4-[(4-methylphenyl)me thyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one
  • MW: 426.467 | Formula: C25H22N4O3
  • H donors: 0 H acceptors: 3 LogP: 3.98 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1c1nnc2n1c1ccccc1c(=O)n2Cc1ccc(cc1)C)OC
  • InChi: 1S/C25H22N4O3/c1-16-8-10-17(11-9-16)15-28-24(30)19-6-4-5-7-21(19)29-23(26-27-25(28)29)20-14-18(31-2)12-13-22(20)32-3/h4-14H,15H2,1-3H3
  • InChiKey: OVZSRXUIQQYTDJ-UHFFFAOYSA-N  

Network

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Synonyms

  • 1-(2,5-dimethoxyphenyl)-4-(4-methylbenzyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
  • E143-0050
  • NCGC00120502-01

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
Onchocerca volvulus Cathepsin F homolog 0.0121 0.6833 1
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0121 0.6833 1
Entamoeba histolytica cysteine protease, putative 0.0065 0.277 0.4054
Onchocerca volvulus 0.0121 0.6833 1
Brugia malayi Papain family cysteine protease containing protein 0.0121 0.6833 0.6833
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0166 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0121 0.6833 1
Trypanosoma cruzi cruzipain precursor, putative 0.0121 0.6833 0.6833
Entamoeba histolytica cysteine protease, putative 0.0065 0.277 0.4054
Brugia malayi Cathepsin L-like precursor 0.0039 0.0915 0.0915
Onchocerca volvulus 0.0121 0.6833 1
Trypanosoma brucei cysteine peptidase C (CPC) 0.0069 0.3093 0.0794
Echinococcus granulosus cathepsin L cysteine proteinase 0.0121 0.6833 0.6833
Trypanosoma cruzi cysteine proteinase, putative 0.0065 0.277 0.277
Leishmania major cathepsin L-like protease 0.0121 0.6833 1
Giardia lamblia Cathepsin B precursor 0.0069 0.3093 0.5778
Echinococcus multilocularis cysteine protease 0.0121 0.6833 0.6833
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0065 0.277 0.4054
Echinococcus granulosus eukaryotic initiation factor 4A 0.0101 0.5353 0.5353
Leishmania major cathepsin L-like protease 0.0121 0.6833 1
Entamoeba histolytica cysteine protease, putative 0.0065 0.277 0.4054
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.1688 0.1688
Entamoeba histolytica cysteine proteinase, putative 0.0065 0.277 0.4054
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0065 0.277 0.277
Loa Loa (eye worm) hypothetical protein 0.0039 0.0915 0.0915
Echinococcus multilocularis cathepsin L cysteine protease 0.0121 0.6833 0.6833
Entamoeba histolytica DEAD/DEAH box helicase, putative 0.0101 0.5353 0.7834
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0121 0.6833 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0069 0.3093 0.3093
Leishmania major cathepsin L-like protease 0.0121 0.6833 1
Brugia malayi Cathepsin L-like cysteine proteinase 0.0083 0.4063 0.4063
Trypanosoma cruzi cysteine peptidase, putative 0.0121 0.6833 0.6833
Entamoeba histolytica cysteine protease, putative 0.0065 0.277 0.4054
Brugia malayi Papain family cysteine protease containing protein 0.0065 0.277 0.277
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0121 0.6833 1
Echinococcus granulosus cysteine protease 0.0065 0.277 0.277
Plasmodium vivax unspecified product 0.0039 0.0915 0.1338
Echinococcus multilocularis eukaryotic initiation factor 4A III 0.0101 0.5353 0.5353
Trypanosoma cruzi cysteine peptidase, putative 0.0065 0.277 0.277
Schistosoma mansoni cathepsin F (C01 family) 0.0121 0.6833 0.6833
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0121 0.6833 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0121 0.6833 1
Toxoplasma gondii cathepsin B 0.0069 0.3093 0.4526
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0121 0.6833 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0121 0.6833 1
Echinococcus multilocularis cysteine protease 0.0121 0.6833 0.6833
Schistosoma mansoni cathepsin F (C01 family) 0.0083 0.4063 0.4063
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0121 0.6833 0.6833
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0121 0.6833 1
Entamoeba histolytica cysteine protease, putative 0.0065 0.277 0.4054
Giardia lamblia Cathepsin B precursor 0.0069 0.3093 0.5778
Brugia malayi Papain family cysteine protease containing protein 0.0065 0.277 0.277
Loa Loa (eye worm) hypothetical protein 0.0121 0.6833 0.6833
Entamoeba histolytica cysteine protease, putative 0.0065 0.277 0.4054
Toxoplasma gondii cathepsin CPL 0.0121 0.6833 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0121 0.6833 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0121 0.6833 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0121 0.6833 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0083 0.4063 0.5946
Brugia malayi cathepsin L-like cysteine proteinase, identical 0.0039 0.0915 0.0915
Giardia lamblia Translation initiation factor eIF-4A, putative 0.0101 0.5353 1
Schistosoma mansoni cathepsin F (C01 family) 0.0121 0.6833 0.6833
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0065 0.277 0.277
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.1688 0.1688
Entamoeba histolytica cysteine proteinase, putative 0.0083 0.4063 0.5946
Onchocerca volvulus 0.0121 0.6833 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0039 0.0915 0.0915
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.005 0.1688 0.1688
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0101 0.5353 0.5353
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0101 0.5353 0.7834
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0121 0.6833 1
Entamoeba histolytica cysteine proteinase 1, putative 0.0065 0.277 0.4054
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0166 1 1
Entamoeba histolytica cysteine protease, putative 0.0065 0.277 0.4054
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0121 0.6833 0.6833
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0121 0.6833 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0121 0.6833 0.6833
Echinococcus granulosus cathepsin l1 0.0121 0.6833 0.6833
Brugia malayi Cathepsin L-like precursor 0.0083 0.4063 0.4063
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0083 0.4063 0.4063
Brugia malayi Cathepsin L-like precursor 0.0121 0.6833 0.6833
Loa Loa (eye worm) hypothetical protein 0.0083 0.4063 0.4063
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0083 0.4063 0.5946
Entamoeba histolytica cysteine protease, putative 0.0065 0.277 0.4054
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.1688 0.1688
Loa Loa (eye worm) hypothetical protein 0.0101 0.5353 0.5353
Echinococcus granulosus cathepsin b 0.0166 1 1
Onchocerca volvulus Cathepsin L homolog 0.0121 0.6833 1
Echinococcus multilocularis cathepsin b 0.0166 1 1
Plasmodium vivax vivapain-3 0.0065 0.277 0.4054
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0166 1 1
Onchocerca volvulus 0.0121 0.6833 1
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0166 1 1
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0101 0.5353 0.7834
Plasmodium vivax vivapain-2 0.0121 0.6833 1
Onchocerca volvulus 0.0083 0.4063 0.5946
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0121 0.6833 1
Leishmania major eukaryotic initiation factor 4a, putative 0.0101 0.5353 0.6043
Echinococcus granulosus cathepsin L cysteine protease 0.0065 0.277 0.277
Loa Loa (eye worm) hypothetical protein 0.0039 0.0915 0.0915
Giardia lamblia Cathepsin B precursor 0.0069 0.3093 0.5778
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0121 0.6833 1
Brugia malayi eukaryotic initiation factor 4A 0.0101 0.5353 0.5353
Echinococcus granulosus cathepsin l1 0.0083 0.4063 0.4063
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0069 0.3093 0.3093
Brugia malayi Cathepsin L-like precursor 0.0121 0.6833 0.6833
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0101 0.5353 0.7834
Leishmania major cathepsin L-like protease 0.0121 0.6833 1
Entamoeba histolytica cysteine proteinase, putative 0.0065 0.277 0.4054
Toxoplasma gondii eukaryotic initiation factor-4A, putative 0.0101 0.5353 0.7834
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0121 0.6833 0.6833
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0121 0.6833 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0121 0.6833 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0121 0.6833 1
Entamoeba histolytica cysteine protease, putative 0.0121 0.6833 1
Onchocerca volvulus 0.0121 0.6833 1
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0069 0.3093 0.4526
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0121 0.6833 1
Echinococcus granulosus eukaryotic initiation factor 4A III 0.0101 0.5353 0.5353
Plasmodium vivax unspecified product 0.0065 0.277 0.4054
Brugia malayi Cathepsin L-like precursor 0.0121 0.6833 0.6833
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.1688 0.1688
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0121 0.6833 1
Brugia malayi cathepsin F-like cysteine proteinase 0.0039 0.0915 0.0915
Echinococcus granulosus cathepsin l cysteine peptidase 0.0121 0.6833 0.6833
Loa Loa (eye worm) cysteine protease 0.0121 0.6833 0.6833
Entamoeba histolytica cysteine proteinase 2 0.0065 0.277 0.4054
Entamoeba histolytica cysteine protease, putative 0.0065 0.277 0.4054
Echinococcus granulosus cathepsin L 0.0065 0.277 0.277
Brugia malayi Cathepsin L-like precursor 0.0121 0.6833 0.6833
Echinococcus multilocularis cathepsin L 0.0065 0.277 0.277
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0065 0.277 0.277
Entamoeba histolytica cysteine proteinase, putative 0.0121 0.6833 1
Loa Loa (eye worm) hypothetical protein 0.0166 1 1
Brugia malayi Cathepsin L-like precursor 0.0121 0.6833 0.6833
Entamoeba histolytica cysteine protease, putative 0.0065 0.277 0.4054
Mycobacterium tuberculosis Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog) 0.0101 0.5353 0.5
Trypanosoma cruzi cysteine peptidase, putative 0.0039 0.0915 0.0915
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.005 0.1688 0.1688
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0121 0.6833 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0121 0.6833 1
Onchocerca volvulus 0.0121 0.6833 1
Schistosoma mansoni cathepsin s 0.0039 0.0915 0.0915
Echinococcus multilocularis cathepsin b 0.0166 1 1
Trypanosoma cruzi cruzipain precursor, putative 0.0039 0.0915 0.0915
Entamoeba histolytica cysteine proteinase, putative 0.0121 0.6833 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0121 0.6833 1
Brugia malayi Cathepsin L-like precursor 0.0083 0.4063 0.4063
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0121 0.6833 1
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0101 0.5353 0.5353
Plasmodium vivax vivapain-1 0.0065 0.277 0.4054
Entamoeba histolytica cysteine proteinase, putative 0.0065 0.277 0.4054
Entamoeba histolytica cysteine proteinase, putative 0.0065 0.277 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0121 0.6833 1
Leishmania major eukaryotic initiation factor 4a, putative 0.0101 0.5353 0.6043
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0121 0.6833 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0121 0.6833 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.1688 0.1688
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0121 0.6833 1
Brugia malayi cathepsin L-like precursor 0.0083 0.4063 0.4063
Onchocerca volvulus 0.0121 0.6833 1
Trypanosoma cruzi cysteine peptidase, putative 0.0121 0.6833 0.6833
Loa Loa (eye worm) hypothetical protein 0.0083 0.4063 0.4063
Trypanosoma brucei Eukaryotic initiation factor 4A-1 0.0101 0.5353 0.6357
Echinococcus multilocularis eukaryotic initiation factor 4A 0.0101 0.5353 0.5353
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0121 0.6833 1
Loa Loa (eye worm) hypothetical protein 0.0083 0.4063 0.4063
Entamoeba histolytica cysteine protease, putative 0.0065 0.277 0.4054
Leishmania major cathepsin L-like protease 0.0121 0.6833 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0065 0.277 0.277
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0121 0.6833 1
Plasmodium falciparum cysteine proteinase falcipain 1 0.0065 0.277 0.4054
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.1688 0.1688
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0101 0.5353 0.5353
Entamoeba histolytica cysteine protease, putative 0.0065 0.277 0.4054
Treponema pallidum ATP-dependent RNA helicase 0.0101 0.5353 0.5
Loa Loa (eye worm) fibroinase 0.0121 0.6833 0.6833
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0121 0.6833 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0121 0.6833 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0121 0.6833 1
Trypanosoma cruzi cysteine peptidase, putative 0.0121 0.6833 0.6833
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0121 0.6833 1
Trypanosoma cruzi cysteine peptidase, putative 0.0121 0.6833 0.6833
Brugia malayi Cathepsin L-like precursor 0.0121 0.6833 0.6833
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0121 0.6833 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0121 0.6833 1
Onchocerca volvulus Eukaryotic initiation factor 4A homolog 0.0101 0.5353 0.7834
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0065 0.277 0.4054
Loa Loa (eye worm) hypothetical protein 0.0039 0.0915 0.0915
Onchocerca volvulus Cathepsin L homolog 0.0121 0.6833 1
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0101 0.5353 0.5353
Plasmodium vivax vivapain-2 0.0121 0.6833 1
Echinococcus granulosus cathepsin b 0.0166 1 1
Leishmania major cathepsin L-like protease 0.0121 0.6833 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0121 0.6833 0.6833
Leishmania major cysteine peptidase A (CPA) 0.0121 0.6833 1
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0166 1 1
Leishmania major cathepsin L-like protease 0.0121 0.6833 1
Plasmodium vivax RNA helicase-1, putative 0.0101 0.5353 0.7834
Plasmodium falciparum cysteine proteinase falcipain 3 0.0121 0.6833 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.1688 0.1688
Plasmodium falciparum eukaryotic initiation factor 4A 0.0101 0.5353 0.7834
Loa Loa (eye worm) ctsf protein 0.0121 0.6833 0.6833
Trypanosoma cruzi cysteine protease, putative 0.0065 0.277 0.277
Leishmania major cathepsin L-like protease 0.0121 0.6833 1
Loa Loa (eye worm) cathepsin B 0.0069 0.3093 0.3093
Trypanosoma cruzi cysteine proteinase, putative 0.0065 0.277 0.277
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0121 0.6833 1
Entamoeba histolytica cysteine protease, putative 0.0065 0.277 0.4054

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] 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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