Detailed information for compound 273534

Basic information

Technical information
  • TDR Targets ID: 273534
  • Name: 3-morpholin-4-ylpropan-1-amine
  • MW: 144.215 | Formula: C7H16N2O
  • H donors: 1 H acceptors: 0 LogP: -0.69 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: NCCCN1CCOCC1
  • InChi: 1S/C7H16N2O/c8-2-1-3-9-4-6-10-7-5-9/h1-8H2
  • InChiKey: UIKUBYKUYUSRSM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-morpholinopropan-1-amine
  • 3-morpholino-1-propanamine
  • 3-morpholinopropylamine
  • 123-00-2
  • A7335_SIGMA
  • ST5308042
  • Oprea1_150673
  • 3-Morpholinopropanamine
  • 4-27-00-00411 (Beilstein Handbook Reference)
  • AI3-52553
  • BRN 0105104
  • EINECS 204-590-2
  • Morpholine, 4-(3-aminopropyl)- (8CI)
  • N-(3-Aminopropyl)morfolin [Czech]
  • NSC 1081
  • gamma-Morpholinopropylamine
  • (3-Aminopropyl)morpholine
  • .gamma.-Morpholinopropylamine
  • 1-Amino-3-morpholinopropane
  • 4-(.gamma.-Aminopropyl)morpholine
  • 4-(3-Aminopropyl)morpholine
  • 4-Aminopropylmorpholine
  • 4-Morpholinepropanamine
  • 4-Morpholinepropylamine
  • Morpholine, 4-(3-aminopropyl)-
  • Morpholine, 4-aminopropyl-
  • Morpholine, N-aminopropyl-
  • N-(3-Aminopropyl)morpholine
  • N-AMINOPROPYLMORPHLINE
  • N-Aminopropylmorpholine
  • NSC1081
  • WLN: T6N DOTJ A3Z
  • InChI=1/C7H16N2O/c8-2-1-3-9-4-6-10-7-5-9/h1-8H
  • 09312_FLUKA
  • 3-Morpholin-4-yl-propylamine
  • MLS000556422
  • SMR000147739
  • A9028_SIGMA

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
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 multilocularis isocitrate dehydrogenase 0.0036 0.0021 0.0021
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.6084 1 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0036 0.0021 0.0021
Toxoplasma gondii isocitrate dehydrogenase 0.0036 0.0021 0.0027
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0199 0.0291 0.5631
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.0138 0.0189 0.0189
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0061 0.0063 0.1228
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.3259 0.5338 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0081 0.0096 0.0096
Brugia malayi hypothetical protein 0.0286 0.0433 0.0433
Echinococcus multilocularis tar DNA binding protein 0.0076 0.0088 0.0088
Leishmania major hypothetical protein, conserved 0.0027 0.0006 0.0012
Leishmania major DNA polymerase eta, putative 0.0053 0.005 0.0094
Mycobacterium tuberculosis Hypothetical protein 0.0336 0.0516 0.0516
Brugia malayi thymidylate synthase 0.0706 0.1127 0.1127
Brugia malayi TAR-binding protein 0.0076 0.0088 0.0088
Entamoeba histolytica hypothetical protein 0.0081 0.0096 0.33
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0036 0.0021 0.0021
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0088 0.0088
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0036 0.0021 0.0039
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0088 0.0088
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0036 0.0021 0.0021
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0199 0.0291 0.5631
Schistosoma mansoni hypothetical protein 0.0077 0.0089 0.0089
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0036 0.0021 0.0021
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.0433 0.0433
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0036 0.0021 0.0039
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0088 0.0088
Schistosoma mansoni DNA polymerase eta 0.0053 0.005 0.005
Loa Loa (eye worm) RNA binding protein 0.0076 0.0088 0.0088
Onchocerca volvulus 0.0706 0.1127 1
Leishmania major dihydrofolate reductase-thymidylate synthase 0.3259 0.5338 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0112 0.0148 0.0148
Echinococcus granulosus zinc finger transcription factor gli2 0.0368 0.0569 0.0569
Trichomonas vaginalis conserved hypothetical protein 0.0336 0.0516 1
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.3259 0.5338 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0036 0.0021 0.0021
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0199 0.0291 1
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0706 0.1127 0.1127
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0061 0.0063 0.1228
Loa Loa (eye worm) hypothetical protein 0.0053 0.005 0.005
Schistosoma mansoni hypothetical protein 0.0036 0.0021 0.0021
Echinococcus multilocularis dihydrofolate reductase 0.6084 1 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0081 0.0096 0.0096
Trypanosoma brucei DNA polymerase eta, putative 0.0053 0.005 0.0094
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0036 0.0021 0.0021
Echinococcus granulosus thymidylate synthase 0.0706 0.1127 0.1127
Loa Loa (eye worm) isocitrate dehydrogenase 0.0036 0.0021 0.0021
Chlamydia trachomatis dihydrofolate reductase 0.6084 1 0.5
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0036 0.0021 0.0021
Brugia malayi ImpB/MucB/SamB family protein 0.0053 0.005 0.005
Echinococcus multilocularis dna polymerase eta 0.0053 0.005 0.005
Brugia malayi Calcitonin receptor-like protein seb-1 0.0112 0.0148 0.0148
Echinococcus granulosus dihydrofolate reductase 0.6084 1 1
Echinococcus granulosus GPCR family 2 0.0036 0.0021 0.0021
Trypanosoma brucei PAB1-binding protein , putative 0.0027 0.0006 0.0012
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0036 0.0021 0.0021
Trypanosoma brucei low molecular weight protein tyrosine phosphatase, putative 0.0061 0.0063 0.0119
Entamoeba histolytica hypothetical protein 0.0081 0.0096 0.33
Brugia malayi Isocitrate dehydrogenase 0.0036 0.0021 0.0021
Schistosoma mansoni dihydrofolate reductase 0.6084 1 1
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.3259 0.5338 1
Loa Loa (eye worm) transcription factor SMAD2 0.0269 0.0406 0.0406
Schistosoma mansoni hypothetical protein 0.0058 0.0058 0.0058
Mycobacterium ulcerans thymidylate synthase 0.0706 0.1127 0.1127
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0036 0.0021 0.0021
Entamoeba histolytica hypothetical protein 0.0081 0.0096 0.33
Schistosoma mansoni hypothetical protein 0.0036 0.0021 0.0021
Schistosoma mansoni survival motor neuron protein 0.0058 0.0058 0.0058
Loa Loa (eye worm) hypothetical protein 0.0077 0.0089 0.0089
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.0088 0.0088
Schistosoma mansoni hypothetical protein 0.0036 0.0021 0.0021
Brugia malayi hypothetical protein 0.0336 0.0516 0.0516
Brugia malayi isocitrate dehydrogenase 0.0036 0.0021 0.0021
Leishmania major hypothetical protein, conserved 0.0061 0.0063 0.0119
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.0199 0.0291 1
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0036 0.0021 0.0027
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0199 0.0291 0.5631
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0036 0.0021 0.0039
Leishmania major DNA polymerase eta, putative 0.0037 0.0024 0.0045
Loa Loa (eye worm) hypothetical protein 0.0112 0.0148 0.0148
Schistosoma mansoni hypothetical protein 0.0081 0.0096 0.0096
Trypanosoma cruzi DNA polymerase eta, putative 0.0037 0.0024 0.0045
Loa Loa (eye worm) zinc finger protein 0.0368 0.0569 0.0569
Brugia malayi hypothetical protein 0.0027 0.0006 0.0006
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0199 0.0291 0.5631
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0036 0.0021 0.0021
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.3259 0.5338 1
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.6084 1 1
Loa Loa (eye worm) dihydrofolate reductase 0.6084 1 1
Echinococcus granulosus tar DNA binding protein 0.0076 0.0088 0.0088
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.0088 0.0088
Loa Loa (eye worm) hypothetical protein 0.0286 0.0433 0.0433
Brugia malayi RNA binding protein 0.0076 0.0088 0.0088
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0036 0.0021 0.0027
Echinococcus multilocularis thymidylate synthase 0.0706 0.1127 0.1127
Loa Loa (eye worm) MH2 domain-containing protein 0.0269 0.0406 0.0406
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0088 0.0088
Entamoeba histolytica hypothetical protein 0.0081 0.0096 0.33
Brugia malayi hypothetical protein 0.0081 0.0096 0.0096
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0037 0.0024 0.0033
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0036 0.0021 0.0039
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.3259 0.5338 1
Brugia malayi MH2 domain containing protein 0.0269 0.0406 0.0406
Brugia malayi latrophilin 2 splice variant baaae 0.0077 0.0089 0.0089
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.0199 0.0291 0.0291
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.0199 0.0291 0.0291
Loa Loa (eye worm) hypothetical protein 0.0027 0.0006 0.0006
Trypanosoma cruzi hypothetical protein, conserved 0.0061 0.0063 0.0119
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0088 0.0088
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0112 0.0148 0.0148
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0706 0.1127 0.1127
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0036 0.0021 0.0021
Loa Loa (eye worm) thymidylate synthase 0.0706 0.1127 0.1127
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0036 0.0021 0.0021
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.0433 0.0433
Brugia malayi Low molecular weight phosphotyrosine protein phosphatase containing protein 0.0199 0.0291 0.0291
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.0058 0.0058
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.6084 1 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0036 0.0021 0.0021
Onchocerca volvulus 0.0199 0.0291 0.2176
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.0336 0.0516 0.0967
Echinococcus multilocularis zinc finger transcription factor gli2 0.0368 0.0569 0.0569
Toxoplasma gondii isocitrate dehydrogenase 0.0036 0.0021 0.0027
Loa Loa (eye worm) TAR-binding protein 0.0076 0.0088 0.0088
Loa Loa (eye worm) hypothetical protein 0.0036 0.0021 0.0021
Schistosoma mansoni transcription factor LCR-F1 0.0081 0.0096 0.0096
Brugia malayi Zinc finger, C2H2 type family protein 0.0368 0.0569 0.0569
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0006 0.0012
Brugia malayi Dihydrofolate reductase 0.6084 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0061 0.0063 0.0119
Schistosoma mansoni hypothetical protein 0.0036 0.0021 0.0021
Echinococcus multilocularis GPCR, family 2 0.0036 0.0021 0.0021
Trypanosoma cruzi DNA polymerase eta, putative 0.0053 0.005 0.0094
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0006 0.0012
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0199 0.0291 0.5631
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0036 0.0021 0.0039
Echinococcus granulosus dna polymerase eta 0.0053 0.005 0.005
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0199 0.0291 0.5631
Brugia malayi Latrophilin receptor protein 2 0.0036 0.0021 0.0021
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0199 0.0291 1

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = 45.75 % In vivo anti-leishmanial activity to L. donovani infected hamster after intraperitoneal dose of 50 mg/kg X 5 on day 7th ChEMBL. No reference
Inhibition (functional) = 45.75 % In vivo anti-leishmanial activity to L. donovani infected hamster after intraperitoneal dose of 50 mg/kg X 5 on day 7th ChEMBL. No reference
Potency (functional) = 0.0224 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.9953 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) 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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