Detailed information for compound 1346507

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 326.39 | Formula: C19H22N2O3
  • H donors: 2 H acceptors: 1 LogP: 3.15 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(OC)ccc1NC(=O)NC1CCCc2c1cccc2
  • InChi: 1S/C19H22N2O3/c1-23-14-10-11-17(18(12-14)24-2)21-19(22)20-16-9-5-7-13-6-3-4-8-15(13)16/h3-4,6,8,10-12,16H,5,7,9H2,1-2H3,(H2,20,21,22)
  • InChiKey: DHDMYWRSKMHVRN-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ATM serine/threonine kinase Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania donovani phosphatidylinositol 3-kinase-like protein Get druggable targets OG5_128955 All targets in OG5_128955
Schistosoma japonicum ko:K04728 ataxia telangectasia mutated family protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Candida albicans identical to the C terminus of CaP19.5580 potential phosphatidylinositol kinase Get druggable targets OG5_128955 All targets in OG5_128955
Leishmania major phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Trypanosoma brucei phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Entamoeba histolytica hypothetical protein Get druggable targets OG5_128955 All targets in OG5_128955
Leishmania infantum phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Neospora caninum phosphatidylinositol 3- and 4-kinase domain- containing protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_128955 All targets in OG5_128955
Toxoplasma gondii FATC domain-containing protein Get druggable targets OG5_128955 All targets in OG5_128955
Schistosoma japonicum IPR000971,Globin;IPR012292,Globin-related;IPR009050,Globin-like,domain-containing Get druggable targets OG5_128955 All targets in OG5_128955
Schistosoma mansoni ataxia telangiectasia mutated (atm) Get druggable targets OG5_128955 All targets in OG5_128955
Candida albicans similar to putative phosphatidylinositol kinase involved in telomere length regulation Get druggable targets OG5_128955 All targets in OG5_128955
Schistosoma japonicum hypothetical protein Get druggable targets OG5_128955 All targets in OG5_128955
Echinococcus granulosus serine protein kinase ATM Get druggable targets OG5_128955 All targets in OG5_128955
Echinococcus multilocularis serine protein kinase ATM Get druggable targets OG5_128955 All targets in OG5_128955
Leishmania braziliensis phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein Get druggable targets OG5_128955 All targets in OG5_128955
Leishmania mexicana phosphatidylinositol 3-kinase-like protein Get druggable targets OG5_128955 All targets in OG5_128955
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128955 All targets in OG5_128955
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Schistosoma japonicum hypothetical protein Get druggable targets OG5_128955 All targets in OG5_128955
Candida albicans similar to putative phosphatidylinositol kinase involved in telomere length regulation Get druggable targets OG5_128955 All targets in OG5_128955
Trypanosoma brucei gambiense phosphatidylinositol kinase domain protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Trypanosoma cruzi cysteine proteinase, putative 0.0039 0.3548 0.322
Plasmodium vivax unspecified product 0.0039 0.3548 0.2757
Loa Loa (eye worm) hypothetical protein 0.006 0.7142 0.7142
Loa Loa (eye worm) cysteine protease 0.0077 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0039 0.3548 0.322
Leishmania major cathepsin L-like protease 0.0077 1 1
Entamoeba histolytica cysteine protease, putative 0.0039 0.3548 0.322
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0051 0.5601 0.5377
Brugia malayi cathepsin L-like cysteine proteinase, identical 0.0025 0.1093 0.1093
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0077 1 1
Onchocerca volvulus 0.0077 1 1
Entamoeba histolytica cysteine protease, putative 0.0039 0.3548 0.322
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0039 0.3548 0.3548
Brugia malayi Cathepsin L-like precursor 0.0077 1 1
Schistosoma mansoni cathepsin F (C01 family) 0.0051 0.5601 0.5601
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0077 1 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0077 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0077 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0077 1 1
Leishmania major cathepsin L-like protease 0.0077 1 1
Echinococcus granulosus serine protein kinase ATM 0.003 0.19 0.19
Echinococcus multilocularis cysteine protease 0.0077 1 1
Brugia malayi Papain family cysteine protease containing protein 0.0039 0.3548 0.3548
Plasmodium vivax vivapain-2 0.0077 1 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.5601 0.5601
Entamoeba histolytica cysteine protease, putative 0.0039 0.3548 0.322
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0077 1 1
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0022 0.0484 0.0484
Echinococcus granulosus cathepsin L cysteine proteinase 0.0077 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0077 1 1
Onchocerca volvulus 0.0077 1 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.1093 0.1093
Entamoeba histolytica cysteine protease, putative 0.0039 0.3548 0.322
Entamoeba histolytica cysteine proteinase 1, putative 0.0039 0.3548 0.322
Entamoeba histolytica cysteine proteinase, putative 0.0051 0.5601 0.5377
Entamoeba histolytica cysteine proteinase, putative 0.0039 0.3548 0.322
Toxoplasma gondii cathepsin CPL 0.0077 1 1
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0026 0.1171 0.0722
Brugia malayi Cathepsin L-like precursor 0.0051 0.5601 0.5601
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0022 0.0484 0.0484
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0077 1 1
Onchocerca volvulus Cathepsin L homolog 0.0077 1 1
Brugia malayi cathepsin L-like precursor 0.0051 0.5601 0.5601
Onchocerca volvulus 0.0077 1 1
Plasmodium vivax vivapain-2 0.0077 1 1
Leishmania major phosphatidylinositol kinase related protein, putative 0.0022 0.0492 0.0008
Brugia malayi Cathepsin L-like precursor 0.0077 1 1
Entamoeba histolytica cysteine proteinase, putative 0.0039 0.3548 0.322
Onchocerca volvulus 0.0077 1 1
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0051 0.5601 0.5377
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0039 0.3548 0.322
Brugia malayi Cathepsin L-like precursor 0.0077 1 1
Onchocerca volvulus Cathepsin L homolog 0.0077 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 1 1
Brugia malayi Papain family cysteine protease containing protein 0.0077 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.19 0.1488
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0022 0.0484 0.0484
Entamoeba histolytica cysteine protease, putative 0.0039 0.3548 0.322
Entamoeba histolytica cysteine protease, putative 0.0039 0.3548 0.322
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0077 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 1 1
Loa Loa (eye worm) ctsf protein 0.0077 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0077 1 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.7142 0.7142
Schistosoma mansoni hypothetical protein 0.0041 0.3836 0.3836
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0077 1 1
Echinococcus granulosus cysteine protease 0.0039 0.3548 0.3548
Entamoeba histolytica hypothetical protein 0.003 0.19 0.1488
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0077 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 1 1
Leishmania major cathepsin L-like protease 0.0077 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0077 1 1
Entamoeba histolytica cysteine proteinase 2 0.0039 0.3548 0.322
Echinococcus multilocularis cathepsin L 0.0039 0.3548 0.3548
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0077 1 1
Giardia lamblia GTOR 0.0022 0.0484 0.5
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0039 0.3548 0.322
Loa Loa (eye worm) hypothetical protein 0.0025 0.1093 0.1093
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.7142 0.7142
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0077 1 1
Echinococcus multilocularis serine protein kinase ATM 0.003 0.19 0.19
Loa Loa (eye worm) phosphatidylinositol 3 0.0022 0.0484 0.0484
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.003 0.19 0.19
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0022 0.0484 0.0484
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0077 1 1
Onchocerca volvulus 0.0077 1 1
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0039 0.3548 0.322
Loa Loa (eye worm) hypothetical protein 0.0025 0.1093 0.1093
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0077 1 1
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.003 0.19 0.1488
Echinococcus multilocularis cathepsin L cysteine protease 0.0077 1 1
Schistosoma mansoni cathepsin F (C01 family) 0.0077 1 1
Entamoeba histolytica cysteine protease, putative 0.0039 0.3548 0.322
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0022 0.0484 0.0484
Entamoeba histolytica cysteine protease, putative 0.0039 0.3548 0.322
Trypanosoma cruzi cysteine peptidase, putative 0.0025 0.1093 0.0639
Entamoeba histolytica cysteine proteinase, putative 0.0077 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0077 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.7142 0.7142
Entamoeba histolytica cysteine protease, putative 0.0039 0.3548 0.322
Onchocerca volvulus 0.0077 1 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.3836 0.3836
Entamoeba histolytica cysteine protease, putative 0.0077 1 1
Plasmodium vivax vivapain-3 0.0039 0.3548 0.2757
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.3836 0.3836
Brugia malayi Cathepsin L-like precursor 0.0077 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0039 0.3548 0.322
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0025 0.1093 0.1093
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0077 1 1
Entamoeba histolytica cysteine protease, putative 0.0039 0.3548 0.322
Loa Loa (eye worm) fibroinase 0.0077 1 1
Echinococcus granulosus cathepsin l1 0.0051 0.5601 0.5601
Onchocerca volvulus 0.0077 1 1
Entamoeba histolytica cysteine proteinase, putative 0.0039 0.3548 0.322
Brugia malayi Cathepsin L-like precursor 0.0025 0.1093 0.1093
Loa Loa (eye worm) phosphatidylinositol 3 0.0022 0.0484 0.0484
Leishmania major cathepsin L-like protease 0.0077 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0077 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0077 1 1
Leishmania major cathepsin L-like protease 0.0077 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0051 0.5601 0.5377
Entamoeba histolytica cysteine proteinase, putative 0.0077 1 1
Trypanosoma cruzi cruzipain precursor, putative 0.0025 0.1093 0.0639
Entamoeba histolytica cysteine protease, putative 0.0039 0.3548 0.322
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0077 1 1
Leishmania major cathepsin L-like protease 0.0077 1 1
Trypanosoma cruzi cysteine protease, putative 0.0039 0.3548 0.322
Trypanosoma cruzi cysteine peptidase, putative 0.0077 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0077 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0077 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0077 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 1 1
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0022 0.0484 0.0484
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 1 1
Brugia malayi cathepsin F-like cysteine proteinase 0.0025 0.1093 0.1093
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0077 1 1
Loa Loa (eye worm) hypothetical protein 0.0077 1 1
Plasmodium vivax vivapain-1 0.0039 0.3548 0.2757
Schistosoma mansoni cathepsin F (C01 family) 0.0077 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 1 1
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.003 0.19 0.19
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0022 0.0484 0.0484
Echinococcus granulosus cathepsin l1 0.0077 1 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0039 0.3548 0.3548
Toxoplasma gondii FATC domain-containing protein 0.003 0.19 0.1488
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0077 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 1 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.1171 0.1171
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0077 1 1
Brugia malayi Cathepsin L-like cysteine proteinase 0.0051 0.5601 0.5601
Brugia malayi Papain family cysteine protease containing protein 0.0039 0.3548 0.3548
Schistosoma mansoni cathepsin s 0.0025 0.1093 0.1093
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0077 1 1
Echinococcus granulosus cathepsin l cysteine peptidase 0.0077 1 1
Entamoeba histolytica cysteine protease, putative 0.0039 0.3548 0.322
Trypanosoma cruzi cysteine proteinase, putative 0.0039 0.3548 0.322
Onchocerca volvulus Cathepsin F homolog 0.0077 1 1
Plasmodium falciparum cysteine proteinase falcipain 3 0.0077 1 1
Brugia malayi Cathepsin L-like precursor 0.0051 0.5601 0.5601
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0077 1 1
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0022 0.0484 0.0484
Leishmania major cathepsin L-like protease 0.0077 1 1
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0022 0.0492 0.0008
Loa Loa (eye worm) hypothetical protein 0.0051 0.5601 0.5601
Leishmania major cathepsin L-like protease 0.0077 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0077 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0077 1 1
Echinococcus granulosus cathepsin L cysteine protease 0.0039 0.3548 0.3548
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0077 1 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0039 0.3548 0.3548
Echinococcus multilocularis cysteine protease 0.0077 1 1
Echinococcus granulosus cathepsin L 0.0039 0.3548 0.3548
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0077 1 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.5601 0.5601
Trypanosoma cruzi cruzipain precursor, putative 0.0077 1 1
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0077 1 1
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.003 0.19 0.1488
Brugia malayi Cathepsin L-like precursor 0.0077 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0039 0.3548 0.322
Leishmania major cysteine peptidase A (CPA) 0.0077 1 1
Entamoeba histolytica cysteine proteinase, putative 0.0039 0.3548 0.322
Entamoeba histolytica cysteine protease, putative 0.0039 0.3548 0.322

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying a Potential Treatment of Ataxia-Telangiectasia. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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