Detailed information for compound 212564

Basic information

Technical information
  • TDR Targets ID: 212564
  • Name: N,N'-di(cycloheptyl)morpholine-4-carboximidam ide
  • MW: 321.501 | Formula: C19H35N3O
  • H donors: 1 H acceptors: 0 LogP: 3.96 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: C1CCCC(CC1)N/C(=N/C1CCCCCC1)/N1CCOCC1
  • InChi: 1S/C19H35N3O/c1-2-6-10-17(9-5-1)20-19(22-13-15-23-16-14-22)21-18-11-7-3-4-8-12-18/h17-18H,1-16H2,(H,20,21)
  • InChiKey: PTQRNKDNGZTXGV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N,N'-di(cycloheptyl)morpholine-4-carboxamidine
  • N,N'-di(cycloheptyl)-4-morpholinecarboxamidine

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
Schistosoma mansoni ATP:guanidino kinase (Smc74) 0.0042 0.0275 0.0275
Echinococcus multilocularis glycerol 3 phosphate dehydrogenase 0.0042 0.0275 0.0275
Schistosoma mansoni intermediate filament proteins 0.0028 0.0075 0.0075
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0038 0.0225 0.1117
Loa Loa (eye worm) intermediate filament protein 0.0028 0.0075 0.0108
Schistosoma mansoni lamin 0.0028 0.0075 0.0075
Plasmodium falciparum eukaryotic initiation factor 4A 0.0076 0.0771 1
Loa Loa (eye worm) glycerol-3-phosphate dehydrogenase 0.0042 0.0275 0.0397
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0076 0.0771 0.3837
Onchocerca volvulus 0.0028 0.0075 0.0969
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0076 0.0771 0.3837
Chlamydia trachomatis D-amino acid dehydrogenase 0.0042 0.0275 0.5
Trypanosoma brucei glycerol-3-phosphate dehydrogenase (FAD-dependent), putative 0.0042 0.0275 0.1368
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0038 0.0225 0.0459
Loa Loa (eye worm) hypothetical protein 0.0038 0.0225 0.0325
Schistosoma mansoni lamin 0.0028 0.0075 0.0075
Onchocerca volvulus Putative fad oxidoreductase 0.0042 0.0275 0.3564
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0038 0.0225 0.2912
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0038 0.0225 0.1117
Loa Loa (eye worm) hypothetical protein 0.0498 0.6915 1
Trypanosoma brucei L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative 0.0042 0.0275 0.1368
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0038 0.0225 0.0225
Trypanosoma cruzi glycerol-3-phosphate dehydrogenase (FAD-dependent), putative 0.0042 0.0275 0.1368
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.0075 0.0372
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0161 0.201 1
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0038 0.0225 0.0225
Echinococcus multilocularis eukaryotic initiation factor 4A 0.0076 0.0771 0.0771
Mycobacterium ulcerans D-amino acid oxidase Aao 0.0498 0.6915 1
Brugia malayi eukaryotic initiation factor 4A 0.0076 0.0771 0.3837
Toxoplasma gondii eukaryotic initiation factor-4A, putative 0.0076 0.0771 0.3837
Echinococcus multilocularis lamin 0.0028 0.0075 0.0075
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0032 0.0139 0.069
Toxoplasma gondii FAD-dependent glycerol-3-phosphate dehydrogenase 0.0042 0.0275 0.1368
Trypanosoma brucei glycerol-3-phosphate dehydrogenase (FAD-dependent), mitochondrial 0.0042 0.0275 0.1368
Trypanosoma cruzi L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative 0.0042 0.0275 0.1368
Echinococcus granulosus FAD dependent oxidoreductase domain containing protein 0.0042 0.0275 0.0275
Brugia malayi pyruvate dehydrogenase phosphatase regulatory subunit precursor 0.0042 0.0275 0.1368
Entamoeba histolytica DEAD/DEAH box helicase, putative 0.0076 0.0771 0.3837
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 0.0033 0.015 0.0746
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0161 0.201 1
Leishmania major glycerol-3-phosphate dehydrogenase-like protein 0.0042 0.0275 0.0728
Brugia malayi RE18450p 0.0042 0.0275 0.1368
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0076 0.0771 0.0771
Brugia malayi intermediate filament protein 0.0028 0.0075 0.0372
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase 0.0033 0.015 0.0217
Schistosoma mansoni microtubule-associated protein tau 0.0711 1 1
Treponema pallidum ATP-dependent RNA helicase 0.0076 0.0771 0.5
Echinococcus granulosus eukaryotic initiation factor 4A 0.0076 0.0771 0.0771
Toxoplasma gondii 3-oxo-5-alpha-steroid 4-dehydrogenase 0.0161 0.201 1
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0161 0.201 1
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0038 0.0225 0.1117
Loa Loa (eye worm) hypothetical protein 0.0076 0.0771 0.1115
Trypanosoma cruzi L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative 0.0042 0.0275 0.1368
Schistosoma mansoni NAD dehydrogenase 0.0042 0.0275 0.0275
Echinococcus granulosus lamin dm0 0.0028 0.0075 0.0075
Loa Loa (eye worm) hypothetical protein 0.0161 0.201 0.2906
Schistosoma mansoni fad oxidoreductase 0.0042 0.0275 0.0275
Echinococcus granulosus expressed protein 0.0033 0.015 0.015
Onchocerca volvulus Pyruvate dehydrogenase phosphatase regulatory subunit, mitochondrial homolog 0.0042 0.0275 0.3564
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0076 0.0771 0.3837
Schistosoma mansoni glycerol-3-phosphate dehydrogenase 0.0042 0.0275 0.0275
Toxoplasma gondii peptidylprolyl isomerase 0.0032 0.0139 0.069
Echinococcus multilocularis eukaryotic initiation factor 4A III 0.0076 0.0771 0.0771
Plasmodium vivax FAD-dependent glycerol-3-phosphate dehydrogenase, putative 0.0042 0.0275 0.3564
Schistosoma mansoni fad oxidoreductase 0.0042 0.0275 0.0275
Trypanosoma cruzi glycerol-3-phosphate dehydrogenase, putative 0.0042 0.0275 0.1368
Schistosoma mansoni rotamase 0.0033 0.015 0.015
Trichomonas vaginalis rotamase, putative 0.0032 0.0139 0.069
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0161 0.201 1
Plasmodium vivax RNA helicase-1, putative 0.0076 0.0771 1
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0038 0.0225 0.0225
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0076 0.0771 0.3837
Trypanosoma cruzi FAD dependent oxidoreductase, putative 0.0042 0.0275 0.1368
Leishmania major eukaryotic initiation factor 4a, putative 0.0076 0.0771 0.338
Toxoplasma gondii hypothetical protein 0.0042 0.0275 0.1368
Leishmania major hypothetical protein, conserved 0.0042 0.0275 0.0728
Trypanosoma brucei 3-oxo-5-alpha-steroid 4-dehydrogenase-like, putative 0.0161 0.201 1
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0038 0.0225 0.1117
Echinococcus multilocularis musashi 0.0028 0.0075 0.0075
Trypanosoma brucei FAD dependent oxidoreductase, putative 0.0042 0.0275 0.1368
Echinococcus granulosus eukaryotic initiation factor 4A III 0.0076 0.0771 0.0771
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative 0.0032 0.0139 0.069
Mycobacterium ulcerans hypothetical protein 0.0161 0.201 0.2613
Trypanosoma brucei electron transfer flavoprotein-ubiquinone oxidoreductase, putative 0.0042 0.0275 0.1368
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0038 0.0225 0.0225
Entamoeba histolytica NAD(FAD)-dependent dehydrogenase, putative 0.0042 0.0275 0.1368
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 20 0.0042 0.0275 0.1368
Loa Loa (eye worm) hypothetical protein 0.0042 0.0275 0.0397
Echinococcus multilocularis lamin dm0 0.0028 0.0075 0.0075
Leishmania major eukaryotic initiation factor 4a, putative 0.0076 0.0771 0.338
Schistosoma mansoni d-amino acid oxidase 0.0498 0.6915 0.6915
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0225 0.1117
Echinococcus multilocularis ubiquitin specific protease 41 0.0038 0.0225 0.0225
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0076 0.0771 0.3837
Brugia malayi cDNA sequence BC016226 0.0042 0.0275 0.1368
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.015 0.0746
Onchocerca volvulus Eukaryotic initiation factor 4A homolog 0.0076 0.0771 1
Mycobacterium tuberculosis Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog) 0.0076 0.0771 0.0822
Brugia malayi 3-oxo-5-alpha-steroid 4-dehydrogenase 1 0.0161 0.201 1
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0161 0.201 1
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0038 0.0225 0.1117
Leishmania major hypothetical protein, conserved 0.0042 0.0275 0.0728
Schistosoma mansoni hypothetical protein 0.0175 0.2207 0.2207
Brugia malayi dimethylglycine dehydrogenase, mitochondrial precursor, putative 0.0042 0.0275 0.1368
Onchocerca volvulus Dimethylglycine dehydrogenase, mitochondrial homolog 0.0042 0.0275 0.3564
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0038 0.0225 0.0225
Echinococcus multilocularis expressed protein 0.0033 0.015 0.015
Echinococcus granulosus glycerol 3 phosphate dehydrogenase 0.0042 0.0275 0.0275
Loa Loa (eye worm) hypothetical protein 0.0042 0.0275 0.0397
Trichomonas vaginalis rotamase, putative 0.0033 0.015 0.0746
Plasmodium falciparum FAD-dependent glycerol-3-phosphate dehydrogenase, putative 0.0042 0.0275 0.3564
Trypanosoma cruzi glycerol-3-phosphate dehydrogenase (FAD-dependent), putative 0.0042 0.0275 0.1368
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0038 0.0225 0.0225
Echinococcus granulosus intermediate filament protein 0.0028 0.0075 0.0075
Echinococcus multilocularis geminin 0.0175 0.2207 0.2207
Echinococcus multilocularis FAD dependent oxidoreductase domain containing protein 0.0042 0.0275 0.0275
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0032 0.0139 0.069
Schistosoma mansoni hypothetical protein 0.0175 0.2207 0.2207
Mycobacterium tuberculosis Probable D-amino acid oxidase Aao 0.0457 0.6311 1
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0038 0.0225 0.1117
Loa Loa (eye worm) hypothetical protein 0.0042 0.0275 0.0397
Echinococcus granulosus ubiquitin specific protease 41 0.0038 0.0225 0.0225
Giardia lamblia Translation initiation factor eIF-4A, putative 0.0076 0.0771 1
Trypanosoma brucei Eukaryotic initiation factor 4A-1 0.0076 0.0771 0.3837
Entamoeba histolytica steroid 5-alpha reductase, putative 0.0161 0.201 1
Leishmania major 3-oxo-5-alpha-steroid 4-dehydrogenase-like protein 0.0161 0.201 1
Mycobacterium leprae PROBABLE D-AMINO ACID OXIDASE AAO 0.0498 0.6915 1
Entamoeba histolytica anaerobic glycerol-3-phosphate dehydrogenase subunit A, putative 0.0042 0.0275 0.1368
Loa Loa (eye worm) hypothetical protein 0.0028 0.0075 0.0108
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.0075 0.0108
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0038 0.0225 0.1117
Giardia lamblia Glycerol-3-phosphate dehydrogenase 0.0042 0.0275 0.3564
Echinococcus granulosus lamin 0.0028 0.0075 0.0075
Onchocerca volvulus 0.0028 0.0075 0.0969
Loa Loa (eye worm) hypothetical protein 0.0027 0.0067 0.0097
Echinococcus multilocularis microtubule associated protein 2 0.0711 1 1
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0076 0.0771 0.0771
Echinococcus granulosus geminin 0.0175 0.2207 0.2207
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative 0.0032 0.0139 0.069

Activities

Activity type Activity value Assay description Source Reference
Excretion Cl- (ADMET) = 1.37 m equiv Total electrolytic excretion of chlorine in urine of rats after peroral administration of 27.9 microM/Kg of drug ChEMBL. 7966129
Excretion Cl- (ADMET) = 1.63 m equiv Total electrolytic excretion of chlorine in urine of rats after peroral administration of 83.8 microM/Kg of drug ChEMBL. 7966129
Excretion Cl- (ADMET) = 1.66 m equiv Total electrolytic excretion of chlorine in urine of rats after peroral administration of 279 microM/Kg of drug ChEMBL. 7966129
Excretion K+ (ADMET) = 0.28 m equiv Total electrolytic excretion of potassium in urine of rats after peroral administration of 279 microM/Kg of drug ChEMBL. 7966129
Excretion K+ (ADMET) = 0.31 m equiv Total electrolytic excretion of potassium in urine of rats after peroral administration of 83.8 microM/Kg of drug ChEMBL. 7966129
Excretion K+ (ADMET) = 0.32 m equiv Total electrolytic excretion of potassium in urine of rats after peroral administration of 27.9 microM/Kg of drug ChEMBL. 7966129
Excretion Na+ (ADMET) = 1.21 m equiv Total electrolytic excretion of sodium in urine of rats after peroral administration of 27.9 microM/Kg of drug ChEMBL. 7966129
Excretion Na+ (ADMET) = 1.53 m equiv Total electrolytic excretion of sodium in urine of rats after peroral administration of 83.8 microM/Kg of drug ChEMBL. 7966129
Excretion Na+ (ADMET) = 1.54 m equiv Total electrolytic excretion of sodium in urine of rats after peroral administration of 279 microM/Kg of drug ChEMBL. 7966129
Ratio (ADMET) = 3.8 Ratio of Total electrolytic excretion of sodium and potassium in urine of rats after peroral administration of 27.9 microM/Kg of drug ChEMBL. 7966129
Ratio (ADMET) = 5 Ratio of Total electrolytic excretion of sodium and potassium in urine of rats after peroral administration of 83.8 microM/Kg of drug ChEMBL. 7966129
Ratio (ADMET) = 5.6 Ratio of Total electrolytic excretion of sodium and potassium in urine of rats after peroral administration of 279 microM/Kg of drug ChEMBL. 7966129
V (ADMET) = 8.4 ml Tested for the diuretic activity by measuring the urinary volume after peroral administering 27.9 microM/Kg of drug in rats ChEMBL. 7966129
V (ADMET) = 9.1 ml Tested for the diuretic activity by measuring the urinary volume after peroral administering 279 microM/Kg of drug in rats ChEMBL. 7966129
V (ADMET) = 9.7 ml Tested for the diuretic activity by measuring the urinary volume after peroral administering 83.8 microM/Kg of drug in rats ChEMBL. 7966129

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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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