Detailed information for compound 1294787

Basic information

Technical information
  • TDR Targets ID: 1294787
  • Name: 1-(3-morpholin-4-ylpropyl)-3-(pyridine-4-carb onylamino)thiourea
  • MW: 323.414 | Formula: C14H21N5O2S
  • H donors: 3 H acceptors: 2 LogP: 0.09 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: S=C(NNC(=O)c1ccncc1)NCCCN1CCOCC1
  • InChi: 1S/C14H21N5O2S/c20-13(12-2-5-15-6-3-12)17-18-14(22)16-4-1-7-19-8-10-21-11-9-19/h2-3,5-6H,1,4,7-11H2,(H,17,20)(H2,16,18,22)
  • InChiKey: QVNQMZQYUISNCT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(3-morpholinopropyl)-3-(pyridine-4-carbonylamino)thiourea
  • 1-(3-morpholinopropyl)-3-[[oxo-(4-pyridyl)methyl]amino]thiourea
  • 1-(3-morpholin-4-ylpropyl)-3-(pyridin-4-ylcarbonylamino)thiourea
  • 2-isonicotinoyl-N-[3-(4-morpholinyl)propyl]hydrazinecarbothioamide
  • MLS000666390
  • SMR000294220

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Giardia intestinalis Putative fructose-1,6-bisphosphate aldolase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Treponema pallidum fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Giardia lamblia Fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.8 %
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Mycobacterium ulcerans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 26.9 %
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0153 0.4155 0.5909
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0742 0.0811
Loa Loa (eye worm) transcription factor SMAD2 0.0124 0.3319 0.472
Loa Loa (eye worm) hypothetical protein 0.0024 0.04 0.0569
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0169 0.4613 1
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0169 0.4613 1
Loa Loa (eye worm) RNA binding protein 0.0137 0.3688 0.5245
Loa Loa (eye worm) latrophilin receptor protein 2 0.0048 0.1102 0.1567
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0037 0.0764 0.1655
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0034 0.0688 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0622 0.0884
Brugia malayi Latrophilin receptor protein 2 0.0048 0.1102 0.1567
Schistosoma mansoni voltage-gated potassium channel 0.004 0.0862 0.1869
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0037 0.0764 0.1086
Loa Loa (eye worm) hypothetical protein 0.0036 0.0742 0.1055
Brugia malayi Probable ClpP-like protease 0.0169 0.4613 0.6561
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.7031 1
Loa Loa (eye worm) TAR-binding protein 0.0137 0.3688 0.5245
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0172 0.4726 1
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0169 0.4613 1
Echinococcus multilocularis peptidase Clp (S14 family) 0.011 0.2916 0.6322
Echinococcus multilocularis tar DNA binding protein 0.0137 0.3688 0.7995
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0169 0.4613 0.5
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0011 0.0008 0.0017
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0137 0.3688 0.5245
Plasmodium vivax SET domain protein, putative 0.0036 0.0742 0.0811
Brugia malayi Calcitonin receptor-like protein seb-1 0.0153 0.4155 0.5909
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0048 0.1102 0.1567
Toxoplasma gondii hypothetical protein 0.0058 0.1385 0.2338
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0742 0.1608
Schistosoma mansoni hypothetical protein 0.0048 0.1102 0.2388
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0742 0.1608
Brugia malayi RNA binding protein 0.0137 0.3688 0.5245
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.011 0.2916 0.5519
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0034 0.0688 0.0684
Loa Loa (eye worm) hypothetical protein 0.0104 0.2741 0.3899
Schistosoma mansoni hypothetical protein 0.0048 0.1102 0.2388
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0034 0.0688 0.1492
Schistosoma mansoni peptidase Clp (S14 family) 0.0169 0.4613 1
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0034 0.0688 0.1492
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0169 0.4613 0.5
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0034 0.0688 1
Schistosoma mansoni tar DNA-binding protein 0.0137 0.3688 0.7995
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0742 0.1608
Loa Loa (eye worm) hypothetical protein 0.0153 0.4155 0.5909
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0153 0.4155 0.5909
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0048 0.1102 0.2388
Brugia malayi hypothetical protein 0.0024 0.04 0.0569
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0169 0.4613 0.5
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0172 0.4726 1
Brugia malayi Pre-SET motif family protein 0.0036 0.0742 0.1055
Schistosoma mansoni tar DNA-binding protein 0.0137 0.3688 0.7995
Loa Loa (eye worm) hypothetical protein 0.0169 0.4613 0.6561
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0169 0.4613 0.3747
Onchocerca volvulus 0.0286 0.8046 1
Schistosoma mansoni hypothetical protein 0.0048 0.1102 0.2388
Brugia malayi latrophilin 2 splice variant baaae 0.0104 0.2741 0.3899
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0742 0.1608
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0172 0.4726 1
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0034 0.0688 0.1492
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0034 0.0688 1
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0058 0.1385 0.2338
Loa Loa (eye worm) hypothetical protein 0.0048 0.1102 0.1567
Brugia malayi MH2 domain containing protein 0.0124 0.3319 0.472
Schistosoma mansoni hypothetical protein 0.0104 0.2741 0.5943
Brugia malayi hypothetical protein 0.0016 0.0148 0.021
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0742 0.1608
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0034 0.0688 0.1492
Brugia malayi TAR-binding protein 0.0137 0.3688 0.5245
Trichomonas vaginalis set domain proteins, putative 0.0286 0.8046 0.79
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0034 0.0688 0.0684
Toxoplasma gondii isocitrate dehydrogenase 0.0034 0.0688 0.0684
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0169 0.4613 1
Schistosoma mansoni hypothetical protein 0.0048 0.1102 0.2388
Echinococcus granulosus GPCR family 2 0.0048 0.1102 0.2388
Brugia malayi RNA recognition motif domain containing protein 0.0137 0.3688 0.5245
Schistosoma mansoni hypothetical protein 0.0011 0.0008 0.0017
Schistosoma mansoni tar DNA-binding protein 0.0137 0.3688 0.7995
Loa Loa (eye worm) MH2 domain-containing protein 0.0124 0.3319 0.472
Brugia malayi Isocitrate dehydrogenase 0.0034 0.0688 0.0979
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0742 0.1608
Loa Loa (eye worm) isocitrate dehydrogenase 0.0034 0.0688 0.0979
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0169 0.4613 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0048 0.1102 0.2388
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0034 0.0688 0.1492
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0034 0.0688 0.1492
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0169 0.4613 1
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0011 0.0008 0.0017
Echinococcus granulosus tar DNA binding protein 0.0137 0.3688 0.7995
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0058 0.1385 0.2338
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0048 0.1102 0.2388
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0048 0.1102 0.2388
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0037 0.0764 0.1086
Brugia malayi isocitrate dehydrogenase 0.0034 0.0688 0.0979
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0703 0.1524
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0742 0.1608
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.011 0.2916 0.5519
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0037 0.0764 0.1655
Schistosoma mansoni voltage-gated potassium channel 0.004 0.0862 0.1869
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0034 0.0688 1
Toxoplasma gondii isocitrate dehydrogenase 0.0034 0.0688 0.0684
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0034 0.0688 1
Echinococcus granulosus peptidase Clp S14 family 0.011 0.2916 0.6322
Schistosoma mansoni tar DNA-binding protein 0.0137 0.3688 0.7995
Echinococcus multilocularis GPCR, family 2 0.0048 0.1102 0.2388
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0169 0.4613 0.9663
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.011 0.2916 0.4584
Brugia malayi Pre-SET motif family protein 0.0251 0.7031 1
Schistosoma mansoni tar DNA-binding protein 0.0137 0.3688 0.7995
Echinococcus multilocularis isocitrate dehydrogenase 0.0034 0.0688 0.1492

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 19.9054 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ] ChEMBL. No reference
Potency (functional) 19.9526 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase Cleavage of Glycogen. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ] ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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