Detailed information for compound 303829

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 283.325 | Formula: C16H17N3O2
  • H donors: 1 H acceptors: 2 LogP: 1.98 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CNC(=O)N(C1c2ccc(cc2Oc2c1cccn2)C)C
  • InChi: 1S/C16H17N3O2/c1-10-6-7-11-13(9-10)21-15-12(5-4-8-18-15)14(11)19(3)16(20)17-2/h4-9,14H,1-3H3,(H,17,20)
  • InChiKey: IUZAEIMZGGFFNF-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

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
Trypanosoma cruzi FKBP-type peptidylprolyl cis-trans isomerase, putative 0.0037 0.0878 0.0878
Trichomonas vaginalis conserved hypothetical protein 0.0037 0.0878 0.0878
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-30 0.0037 0.0878 0.0878
Echinococcus multilocularis fk506 binding protein 0.027 1 1
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0018 0.0138 0.0138
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.027 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.054 0.054
Trypanosoma brucei macrophage infectivity potentiator, precursor, putative 0.0037 0.0878 0.0878
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.1144 0.1144
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0441 0.0441
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0451 0.0451
Echinococcus granulosus FK506 binding protein 2 0.0037 0.0878 0.0878
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0232 0.8544 0.8544
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.027 1 1
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0044 0.1144 0.1144
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.027 1 1
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.0037 0.0878 0.0878
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0892 0.0892
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-13, BmFKBP-13 0.0037 0.0878 0.0878
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0044 0.1144 0.1144
Leishmania major peptidyl-prolyl cis-trans isomerase, putative 0.0037 0.0878 0.0878
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-30, BmFKBP-30 0.0037 0.0878 0.0878
Trypanosoma cruzi target of rapamycin kinase 3 0.0035 0.0793 0.0793
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-13 0.0037 0.0878 0.0878
Leishmania major fk506-binding protein 1-like protein 0.027 1 1
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0044 0.1144 0.1144
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0792 0.0792
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0792 0.0792
Trypanosoma brucei FKBP-type peptidylprolyl cis-trans isomerase, putative 0.0037 0.0878 0.0878
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0703 0.0703
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0021 0.0237 0.0237
Trichomonas vaginalis fk506-binding protein, putative 0.027 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0351 0.0351
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.1144 0.1144
Echinococcus multilocularis FK506 binding protein 8, 38 kDa 0.0037 0.0878 0.0878
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type , putative 0.027 1 1
Echinococcus multilocularis 0.0037 0.0878 0.0878
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0352 0.0352
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0037 0.0878 0.0878
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0044 0.1144 0.0291
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0703 0.0703
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0044 0.1144 0.1144
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0451 0.0451
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0044 0.1144 0.1144
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0792 0.0792
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0441 0.0441
Schistosoma mansoni fk506 binding protein 0.0037 0.0878 0.0878
Loa Loa (eye worm) hypothetical protein 0.0037 0.0878 0.0878
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0703 0.0703
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.1144 0.1144
Schistosoma mansoni immunophilin 0.0232 0.8544 0.8544
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0703 0.0703
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0352 0.0352
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0351 0.0351
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0792 0.0792
Trypanosoma brucei FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.027 1 1
Trypanosoma cruzi FKBP-type peptidylprolyl cis-trans isomerase, putative 0.0037 0.0878 0.0878
Mycobacterium ulcerans FK-506 binding protein, peptidyl-prolyl cis-trans isomerase 0.027 1 1
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0232 0.8544 0.8544
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0037 0.0878 0.0878
Toxoplasma gondii peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein 0.0037 0.0878 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0451 0.0451
Trichomonas vaginalis conserved hypothetical protein 0.0037 0.0878 0.0878
Leishmania major peptidyl-prolyl cis-trans isomerase, macrophage infectivity potentiator precursor, putative 0.0037 0.0878 0.0878
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0044 0.1144 0.1144
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0792 0.0792
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59 0.027 1 1
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0035 0.0793 0.0793
Trichomonas vaginalis fk506-binding protein, putative 0.0037 0.0878 0.0878
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.027 1 1
Schistosoma mansoni immunophilin 0.027 1 1
Onchocerca volvulus 0.0037 0.0878 0.5
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0044 0.1144 0.1144
Toxoplasma gondii peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein 0.0037 0.0878 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0044 0.1144 0.1144
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP1A 0.027 1 1
Echinococcus granulosus FK506 binding protein 8 38 kDa 0.0037 0.0878 0.0878
Trypanosoma brucei hypothetical protein, conserved 0.0037 0.0878 0.0878
Trichomonas vaginalis fk506 binding protein, putative 0.0037 0.0878 0.0878
Treponema pallidum peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB) 0.027 1 1
Giardia lamblia 70 kDa peptidylprolyl isomerase, putative 0.027 1 1
Plasmodium vivax 70 kDa peptidylprolyl isomerase, putative 0.027 1 1
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.027 1 1
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.027 1 1
Mycobacterium leprae PROBABLE TRIGGER FACTOR (TF) PROTEIN TIG 0.0037 0.0878 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0703 0.0703
Leishmania major peptidylprolyl isomerase-like protein 0.027 1 1
Mycobacterium tuberculosis Probable trigger factor (TF) protein Tig 0.0037 0.0878 0.5
Trypanosoma cruzi macrophage infectivity potentiator, precursor, putative 0.0037 0.0878 0.0878
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0035 0.0793 0.0793
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0703 0.0703
Chlamydia trachomatis peptidyl-prolyl cis-trans isomerase 0.0037 0.0878 0.5
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0044 0.1144 0.0291
Schistosoma mansoni immunophilin 0.027 1 1
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-12 0.027 1 1
Toxoplasma gondii peptidyl-prolyl isomerase FKBP12, putative 0.0037 0.0878 1
Schistosoma mansoni hypothetical protein 0.0037 0.0878 0.0878
Leishmania major FKBP-type peptidyl-prolyl cis-trans isomerase, putative 0.0037 0.0878 0.0878
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0703 0.0703
Giardia lamblia GTOR 0.0044 0.1144 0.0291
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-33, BmFKBP-33 0.0037 0.0878 0.0878
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0352 0.0352
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type, putative 0.027 1 1
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.027 1 1
Schistosoma mansoni immunophilin FK506 binding protein FKBP12 0.027 1 1
Toxoplasma gondii peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein 0.0037 0.0878 1
Wolbachia endosymbiont of Brugia malayi FKBP-type peptidylprolyl isomerase 0.0037 0.0878 0.5
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-33 0.0037 0.0878 0.0878
Onchocerca volvulus 0.0037 0.0878 0.5
Trichomonas vaginalis fk506-binding protein, putative 0.0037 0.0878 0.0878
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0351 0.0351
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase FKBP35 0.027 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0352 0.0352
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0044 0.1144 0.1144
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0577 0.0577
Loa Loa (eye worm) hypothetical protein 0.0232 0.8544 0.8544
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0044 0.1144 0.1144
Loa Loa (eye worm) FKBP5 protein 0.027 1 1
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.027 1 1
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.027 1 1
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0044 0.1144 0.1144
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.027 1 1
Wolbachia endosymbiont of Brugia malayi FKBP-type peptidylprolyl isomerase 0.0037 0.0878 0.5
Trichomonas vaginalis immunophilin, putative 0.027 1 1

Activities

Activity type Activity value Assay description Source Reference
Reduction (functional) < 30 % Antisecretory activity was evaluated in adult mongrel dog after po administration of the compound at 8 mg/kg of dose, expressed as reduction of gastric output ChEMBL. 7328596
Reduction (functional) = 75 % Antisecretory activity was evaluated in adult mongrel dog after iv administration at 5 mg/kg of dose, expressed as reduction of gastric output ChEMBL. 7328596
Reduction (functional) = 81 % Antisecretory activity was evaluated in pylorus ligated rat after iv administration at 40 mg/kg of dose, expressed as reduction of gastric output ChEMBL. 7328596

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

1 literature reference was collected for this gene.

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