Detailed information for compound 807615

Basic information

Technical information
  • TDR Targets ID: 807615
  • Name: N-(4-morpholin-4-ylphenyl)butanamide
  • MW: 248.321 | Formula: C14H20N2O2
  • H donors: 1 H acceptors: 1 LogP: 1.68 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCC(=O)Nc1ccc(cc1)N1CCOCC1
  • InChi: 1S/C14H20N2O2/c1-2-3-14(17)15-12-4-6-13(7-5-12)16-8-10-18-11-9-16/h4-7H,2-3,8-11H2,1H3,(H,15,17)
  • InChiKey: OIFVMEQEQURAOU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(4-morpholinophenyl)butanamide
  • N-(4-morpholinophenyl)butyramide
  • BAS 01145576
  • MLS000061815
  • Oprea1_833062
  • SMR000070292
  • N-[4-(4-morpholinyl)phenyl]butanamide
  • 10G-365S
  • ZINC00262146
  • BIM-0009476.P001
  • CBMicro_009591
  • Oprea1_498748
  • N-(4-Morpholin-4-yl-phenyl)-butyramide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens tumor protein p53 Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Echinococcus granulosus tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.0067 0.022
Loa Loa (eye worm) hypothetical protein 0.006 0.0174 0.0567
Loa Loa (eye worm) glutaminase 0.033 0.3063 1
Mycobacterium leprae conserved hypothetical protein 0.0043 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0382 0.3612 1
Mycobacterium leprae Probable lipase LipE 0.0043 0 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.0067 0.022
Brugia malayi glutaminase DH11.1 0.033 0.3063 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.2504 1
Echinococcus multilocularis tumor protein p63 0.0408 0.3896 0.3896
Toxoplasma gondii ABC1 family protein 0.0043 0 0.5
Schistosoma mansoni hypothetical protein 0.0205 0.1722 0.4767
Echinococcus multilocularis geminin 0.0205 0.1722 0.1722
Echinococcus multilocularis arginase 2, mitochondrial 0.0382 0.3612 0.3612
Trypanosoma cruzi agmatinase, putative 0.0139 0.1019 1
Trypanosoma brucei agmatinase, putative 0.0139 0.1019 1
Trypanosoma cruzi agmatinase, putative 0.0139 0.1019 1
Echinococcus granulosus arginase 2 mitochondrial 0.0382 0.3612 0.9272
Trichomonas vaginalis glutaminase, putative 0.033 0.3063 0.8479
Schistosoma mansoni cellular tumor antigen P53 0.006 0.0174 0.0481
Trichomonas vaginalis Arginase, putative 0.0382 0.3612 1
Mycobacterium ulcerans glutaminase 0.033 0.3063 1
Plasmodium vivax arginase, putative 0.0382 0.3612 1
Trypanosoma cruzi arginase, putative 0.0139 0.1019 1
Loa Loa (eye worm) glutaminase 2 0.033 0.3063 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.0067 0.022
Schistosoma mansoni hypothetical protein 0.0205 0.1722 0.4767
Trypanosoma cruzi arginase, putative 0.0139 0.1019 1
Loa Loa (eye worm) hypothetical protein 0.005 0.0067 0.022
Echinococcus multilocularis 0.0382 0.3612 0.3612
Entamoeba histolytica Arginase, putative 0.0382 0.3612 0.5
Echinococcus granulosus tumor protein p63 0.0408 0.3896 1
Plasmodium falciparum arginase 0.0382 0.3612 0.5
Echinococcus granulosus geminin 0.0205 0.1722 0.442
Trichomonas vaginalis conserved hypothetical protein 0.0382 0.3612 1
Onchocerca volvulus 0.006 0.0174 1
Schistosoma mansoni glutaminase 0.033 0.3063 0.8479
Schistosoma mansoni arginase 0.0382 0.3612 1
Leishmania major arginase 0.0382 0.3612 1
Echinococcus granulosus 3'partial|arginase 2 mitochondrial 0.0382 0.3612 0.9272
Leishmania major agmatinase-like protein 0.0139 0.1019 0.282

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0891 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 0.1158 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.8184 uM PUBCHEM_BIOASSAY: qHTS assay for re-activators of p53 using a Luc reporter. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504709] ChEMBL. No reference
Potency (functional) 6.5131 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens 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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