Detailed information for compound 1251355

Basic information

Technical information
  • TDR Targets ID: 1251355
  • Name: N-(3-methoxyphenyl)-2-[(2-phenyl-[1,2,4]triaz olo[1,5-c]quinazolin-5-yl)sulfanyl]butanamide
  • MW: 469.558 | Formula: C26H23N5O2S
  • H donors: 1 H acceptors: 4 LogP: 5.74 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC(C(=O)Nc1cccc(c1)OC)Sc1nc2ccccc2c2n1nc(n2)c1ccccc1
  • InChi: 1S/C26H23N5O2S/c1-3-22(25(32)27-18-12-9-13-19(16-18)33-2)34-26-28-21-15-8-7-14-20(21)24-29-23(30-31(24)26)17-10-5-4-6-11-17/h4-16,22H,3H2,1-2H3,(H,27,32)
  • InChiKey: TYTCOPQPDHNEBX-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • N-(3-methoxyphenyl)-2-[(2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)thio]butanamide
  • N-(3-methoxyphenyl)-2-[(2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)thio]butyramide
  • NCGC00138689-01
  • K280-0443

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens vitamin D (1,25- dihydroxyvitamin D3) receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi steroid hormone receptor vitamin D (1,25- dihydroxyvitamin D3) receptor 427 aa 416 aa 24.5 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.3485 0.3297
Schistosoma mansoni eyes absent homolog 0.009 1 1
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0036 0.2837 0.1601
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.3485 0.3297
Echinococcus multilocularis expressed protein 0.0037 0.2954 0.4177
Loa Loa (eye worm) intermediate filament protein 0.0033 0.2335 0.2335
Leishmania major DNA polymerase eta, putative 0.0039 0.3162 0.2263
Brugia malayi ImpB/MucB/SamB family protein 0.0067 0.6961 0.6864
Echinococcus multilocularis lamin 0.0033 0.2335 0.3277
Schistosoma mansoni DNA polymerase eta 0.0067 0.6961 0.6036
Trypanosoma cruzi DNA polymerase kappa, putative 0.0041 0.3485 0.2922
Giardia lamblia DINP protein human, muc B family 0.0041 0.3485 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.3485 0.3297
Echinococcus multilocularis lamin dm0 0.0033 0.2335 0.3277
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.2335 0.2335
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.3485 0.3297
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0041 0.3485 0.1501
Onchocerca volvulus 0.0033 0.2335 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.3485 0.3297
Leishmania major DNA polymerase eta, putative 0.0067 0.6961 1
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.205 0.5
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0039 0.3162 1
Loa Loa (eye worm) hypothetical protein 0.009 1 1
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 0.0037 0.2954 0.2728
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.205 0.053
Echinococcus multilocularis dna polymerase eta 0.0067 0.6961 1
Trichomonas vaginalis rotamase, putative 0.0037 0.2954 0.1807
Mycobacterium tuberculosis Conserved hypothetical protein 0.0041 0.3485 0.5
Echinococcus granulosus dna polymerase eta 0.0067 0.6961 1
Echinococcus multilocularis dna polymerase kappa 0.0041 0.3485 0.4949
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0036 0.2837 0.1601
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative 0.0036 0.2837 0.2046
Trypanosoma brucei DNA polymerase IV, putative 0.0041 0.3485 0.3297
Echinococcus granulosus lamin 0.0033 0.2335 0.3277
Trypanosoma cruzi DNA polymerase kappa, putative 0.0041 0.3485 0.2922
Echinococcus granulosus intermediate filament protein 0.0033 0.2335 0.3277
Trichomonas vaginalis conserved hypothetical protein 0.0037 0.2954 0.1807
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.2335 0.2089
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.205 0.5
Echinococcus granulosus expressed protein 0.0037 0.2954 0.4177
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.4218 0.6013
Trypanosoma brucei DNA polymerase eta, putative 0.0067 0.6961 1
Brugia malayi ImpB/MucB/SamB family protein 0.0041 0.3485 0.3276
Loa Loa (eye worm) hypothetical protein 0.0032 0.2255 0.2255
Loa Loa (eye worm) hypothetical protein 0.003 0.205 0.205
Onchocerca volvulus 0.0033 0.2335 0.5
Trypanosoma brucei unspecified product 0.0041 0.3485 0.3297
Leishmania major DNA polymerase kappa, putative 0.0041 0.3485 0.2922
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.4218 0.2456
Echinococcus multilocularis musashi 0.0033 0.2335 0.3277
Schistosoma mansoni rotamase 0.0037 0.2954 0.0807
Loa Loa (eye worm) hypothetical protein 0.0033 0.2335 0.2335
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0311 0.0311
Entamoeba histolytica deoxycytidyl transferase, putative 0.0041 0.3485 1
Toxoplasma gondii peptidylprolyl isomerase 0.0036 0.2837 0.7074
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.4218 0.4032
Echinococcus granulosus dna polymerase kappa 0.0041 0.3485 0.4949
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0041 0.3485 0.4949
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.3485 0.3297
Brugia malayi hypothetical protein 0.003 0.205 0.1795
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0041 0.3485 0.2922
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.3485 0.3297
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0041 0.3485 0.4949
Schistosoma mansoni terminal deoxycytidyl transferase 0.0041 0.3485 0.1501
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.3485 0.3297
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.4218 0.6013
Trypanosoma brucei DNA polymerase IV, putative 0.0041 0.3485 0.3297
Trypanosoma brucei DNA polymerase IV, putative 0.0041 0.3485 0.3297
Trypanosoma cruzi DNA polymerase eta, putative 0.0067 0.6961 1
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase 0.0037 0.2954 0.2954
Loa Loa (eye worm) hypothetical protein 0.0067 0.6961 0.6961
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.3485 0.3297
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.4218 0.4218
Echinococcus granulosus lamin dm0 0.0033 0.2335 0.3277
Mycobacterium ulcerans DNA polymerase IV 0.0041 0.3485 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.4218 0.2456
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.4218 0.6013
Loa Loa (eye worm) hypothetical protein 0.0016 0.008 0.008
Leishmania major peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative 0.0036 0.2837 0.1601
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.205 0.5
Loa Loa (eye worm) hypothetical protein 0.009 1 1
Brugia malayi hypothetical protein 0.002 0.0606 0.0305
Trypanosoma cruzi DNA polymerase eta, putative 0.0039 0.3162 0.2263
Mycobacterium ulcerans DNA polymerase IV 0.0041 0.3485 0.5
Trypanosoma cruzi DNA polymerase kappa, putative 0.0041 0.3485 0.2922
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0041 0.3485 0.5
Trichomonas vaginalis DNA polymerase eta, putative 0.0041 0.3485 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0041 0.3485 0.2922
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.4218 0.2456
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.3485 0.3297
Brugia malayi intermediate filament protein 0.0033 0.2335 0.2089
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0041 0.3485 0.3485
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.4218 0.6013
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0041 0.3485 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.1585 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.3548 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.2589 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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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