Detailed information for compound 1529920

Basic information

Technical information
  • TDR Targets ID: 1529920
  • Name: 6-butyl-N-(2,4-dimethoxyphenyl)-7,8-dihydro-5 H-pyrido[4,3-d]pyrimidin-2-amine
  • MW: 342.435 | Formula: C19H26N4O2
  • H donors: 1 H acceptors: 2 LogP: 3.18 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCN1CCc2c(C1)cnc(n2)Nc1ccc(cc1OC)OC
  • InChi: 1S/C19H26N4O2/c1-4-5-9-23-10-8-16-14(13-23)12-20-19(21-16)22-17-7-6-15(24-2)11-18(17)25-3/h6-7,11-12H,4-5,8-10,13H2,1-3H3,(H,20,21,22)
  • InChiKey: LPYKOLZEMJKAMC-UHFFFAOYSA-N  

Network

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Synonyms

  • (6-butyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)-(2,4-dimethoxyphenyl)amine
  • G421-0242
  • NCGC00131457-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens mechanistic target of rapamycin (serine/threonine kinase) Starlite/ChEMBL No references
Homo sapiens ubiquitin specific peptidase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Candida albicans similar to internal region of S. cerevisiae TOR2 (YKL203C) and TOR1 (YJR066W) protein/phosphatidylinositol kinases involved in n Get druggable targets OG5_127212 All targets in OG5_127212
Loa Loa (eye worm) phosphatidylinositol 3 Get druggable targets OG5_127212 All targets in OG5_127212
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma brucei phosphatidylinositol 4-kinase, putative Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania mexicana phosphatidylinositol 3-kinase (tor2)-like protein Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Candida albicans similar to internal region of S. cerevisiae TOR2 (YKL203C) and TOR1 (YJR066W) protein/phosphatidylinositol kinases involved in n Get druggable targets OG5_127212 All targets in OG5_127212
Toxoplasma gondii target of rapamycin (TOR), putative Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Candida albicans frameshifted from upstream TOR2 CDS (CaP19.1905) Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma brucei gambiense phosphatidylinositol 3-kinase tor, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania donovani Phosphatidylinositol 3-kinase tor2 Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania donovani Phosphatidylinositol 3-kinase tor1 Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma congolense Phosphatidylinositol 3-kinase tor1 Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania braziliensis target of rapamycin (TOR) kinase 2, putative Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania mexicana phosphatidylinositol 3 kinase, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma japonicum FKBP12-rapamycin complex-associated protein, putative Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma japonicum FKBP12-rapamycin complex-associated protein, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania infantum target of rapamycin (TOR) kinase 1, putative Get druggable targets OG5_127212 All targets in OG5_127212
Candida albicans frameshifted from upsteam TOR2 CDS (CaP19.9461) Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Candida albicans similar to N terminal region of S. cerevisiae TOR2 (YKL203C) and TOR1 (YJR066W) putative protein/phosphatidylinositol kinases in Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma japonicum ko:K07203 FKBP12-rapamycin complex-associated protein, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma congolense Phosphatidylinositol 3-kinase tor2 Get druggable targets OG5_127212 All targets in OG5_127212
Echinococcus granulosus FKBP12 rapamycin complex associated protein Get druggable targets OG5_127212 All targets in OG5_127212
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127212 All targets in OG5_127212
Giardia lamblia GTOR Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania infantum target of rapamycin (TOR) kinase 2, putative Get druggable targets OG5_127212 All targets in OG5_127212
Neospora caninum Phosphatidylinositol 3-kinase tor2, related Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania major target of rapamycin (TOR) kinase 2, putative Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma japonicum FKBP12-rapamycin complex-associated protein, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma brucei gambiense phosphatidylinositol 3 kinase, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Candida albicans similar to N terminal region of S. cerevisiae TOR2 (YKL203C) and TOR1 (YJR066W) putative protein/phosphatidylinositol kinases in Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Echinococcus multilocularis FKBP12 rapamycin complex associated protein Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania major target of rapamycin (TOR) kinase 1, putative Get druggable targets OG5_127212 All targets in OG5_127212
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212

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 zinc finger protein Ran binding 0.0043 0.2685 0.2428
Schistosoma mansoni hypothetical protein 0.0122 1 1
Schistosoma mansoni TRABID protein (C64 family) 0.0043 0.2685 0.2428
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.1662 0.1662
Echinococcus multilocularis Zinc finger, RanBP2 type 0.0043 0.2685 0.2428
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.1367 0.1367
Schistosoma mansoni zinc finger protein 0.0043 0.2685 0.2428
Chlamydia trachomatis SWIB complex protein 0.0122 1 0.5
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.0122 1 1
Echinococcus granulosus SWI:SNF matrix associated 0.0122 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.24 0.24
Trypanosoma brucei Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0043 0.2685 0.6993
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.1632 0.1632
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0338 0.0338
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.1922 0.1922
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0054 0.3693 1
Schistosoma mansoni hypothetical protein 0.0043 0.2685 0.2428
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0122 1 1
Chlamydia trachomatis DNA topoisomerase I 0.0122 1 0.5
Leishmania major hypothetical protein, conserved 0.0043 0.2685 0.6993
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0054 0.3693 0.3472
Onchocerca volvulus 0.0122 1 1
Trypanosoma brucei mitochondrial RNA binding complex 1 subunit 0.0043 0.2685 0.6993
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0043 0.2685 0.2428
Toxoplasma gondii ran binding protein 0.0043 0.2685 0.0375
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0043 0.2665 0.6934
Loa Loa (eye worm) phosphatidylinositol 3 0.0054 0.3693 0.3472
Echinococcus multilocularis zinc finger protein Ran binding 0.0043 0.2685 0.2428
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.2661 0.2661
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0338 0.0338
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.24 0.24
Toxoplasma gondii SWIB/MDM2 domain-containing protein 0.0122 1 1
Brugia malayi SWIB/MDM2 domain containing protein 0.0122 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.24 0.24
Loa Loa (eye worm) brahma associated protein 0.0122 1 1
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0054 0.3693 0.3472
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0054 0.3693 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.1662 0.1662
Schistosoma mansoni hypothetical protein 0.0122 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.2661 0.2661
Trypanosoma cruzi target of rapamycin kinase 3 0.0043 0.2665 0.6934
Schistosoma mansoni RNA binding protein 0.0043 0.2685 0.2428
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0054 0.3693 0.5
Brugia malayi YY1-associated factor 2 0.0043 0.2685 0.2428
Echinococcus granulosus Upstream activation factor subunit UAF30 0.0122 1 1
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0054 0.3693 0.5
Leishmania major hypothetical protein, conserved 0.0043 0.2685 0.6993
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.1367 0.1367
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0054 0.3693 1
Echinococcus multilocularis SWI:SNF matrix associated 0.0122 1 1
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0043 0.2685 0.2428
Brugia malayi brahma associated protein 60 kDa 0.0122 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.2661 0.2661
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.2661 0.2661
Echinococcus granulosus Nuclear pore complex protein Nup153 0.0043 0.2685 0.2428
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0054 0.3693 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.1662 0.1662
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.1371 0.1371
Trichomonas vaginalis PIKK family atypical protein kinase 0.0046 0.2955 0.2955
Schistosoma mansoni fusion 0.0043 0.2685 0.2428
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0054 0.3693 0.3472
Trichomonas vaginalis PIKK family atypical protein kinase 0.0054 0.3693 0.3693
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0043 0.2685 0.6993
Loa Loa (eye worm) SWIB/MDM2 domain-containing protein 0.0122 1 1
Schistosoma mansoni hypothetical protein 0.0122 1 1
Trypanosoma cruzi Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0043 0.2685 0.6993
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.2661 0.2661
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.2685 0.6993
Loa Loa (eye worm) hypothetical protein 0.0043 0.2685 0.2428
Echinococcus multilocularis SWI:SNF matrix associated 0.0122 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.24 0.24
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0043 0.2685 0.6993
Trypanosoma cruzi WLM domain containing protein, putative 0.0043 0.2685 0.6993
Toxoplasma gondii Zn-finger in Ran binding protein and others domain-containing protein 0.0043 0.2685 0.0375
Loa Loa (eye worm) hypothetical protein 0.0043 0.2685 0.2428
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.1371 0.1371
Loa Loa (eye worm) hypothetical protein 0.0043 0.2685 0.2428
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0338 0.0338
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0054 0.3693 0.3472
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0043 0.2685 0.6993
Giardia lamblia GTOR 0.0054 0.3693 0.5
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0054 0.3693 1
Leishmania major hypothetical protein, conserved 0.0043 0.2685 0.6993
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0043 0.2685 0.2428
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0043 0.2665 0.6934
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.1632 0.1632
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.24 0.24
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0338 0.0338
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.1371 0.1371
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.2685 0.6993
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.2685 0.6993
Leishmania major hypothetical protein, conserved 0.0043 0.2685 0.6993
Echinococcus multilocularis Upstream activation factor subunit UAF30 0.0122 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0338 0.0338
Echinococcus multilocularis Nuclear pore complex protein Nup153 0.0043 0.2685 0.2428
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0054 0.3693 1
Trypanosoma cruzi WLM domain containing protein, putative 0.0043 0.2685 0.6993
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0026 0.1033 0.207
Echinococcus granulosus ring and YY1 binding protein 0.0043 0.2685 0.2428
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0043 0.2685 0.2428
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.1367 0.1367
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0122 1 1
Echinococcus granulosus Zinc finger RanBP2 type 0.0043 0.2685 0.2428
Trichomonas vaginalis PIKK family atypical protein kinase 0.0054 0.3693 0.3693
Plasmodium vivax SWIB/MDM2 domain-containing protein, putative 0.0122 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0043 0.2685 0.2428
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.1371 0.1371
Echinococcus multilocularis SWI:SNF matrix associated 0.0122 1 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.2685 0.2428
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.2032 0.2032
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0043 0.2685 0.6993
Trichomonas vaginalis conserved hypothetical protein 0.0122 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.2685 0.6993
Schistosoma mansoni brg-1 associated factor 0.0122 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.24 0.24
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.2685 0.6993
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.24 0.24
Echinococcus multilocularis ring and YY1 binding protein 0.0043 0.2685 0.2428
Leishmania major hypothetical protein, conserved 0.0043 0.2685 0.6993
Plasmodium vivax hypothetical protein, conserved 0.0122 1 0.5
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0023 0.0742 0.1204
Trichomonas vaginalis PIKK family atypical protein kinase 0.0054 0.3693 0.3693

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.1309 uM PUBCHEM_BIOASSAY: Acumen qHTS Assay for Inhibitors of the mTORC1 Signaling Pathway in MEF (Tsc2-/-, p53-/-) Cells: Sytravon. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2660, AID2666, AID2667, AID2668, AID2681, AID504465] ChEMBL. No reference
Potency (functional) 5.6234 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] 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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