Detailed information for compound 1363467

Basic information

Technical information
  • TDR Targets ID: 1363467
  • Name: N-(2-morpholin-4-ylphenyl)-2-(4-propanoylphen oxy)acetamide
  • MW: 368.426 | Formula: C21H24N2O4
  • H donors: 1 H acceptors: 2 LogP: 2.7 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC(=O)c1ccc(cc1)OCC(=O)Nc1ccccc1N1CCOCC1
  • InChi: 1S/C21H24N2O4/c1-2-20(24)16-7-9-17(10-8-16)27-15-21(25)22-18-5-3-4-6-19(18)23-11-13-26-14-12-23/h3-10H,2,11-15H2,1H3,(H,22,25)
  • InChiKey: NIHQCXSTWXQTRO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(2-morpholinophenyl)-2-(4-propanoylphenoxy)acetamide
  • N-(2-morpholinophenyl)-2-[4-(1-oxopropyl)phenoxy]acetamide
  • N-(2-morpholinophenyl)-2-(4-propionylphenoxy)acetamide
  • N-(2-morpholin-4-ylphenyl)-2-(4-propanoylphenoxy)ethanamide
  • T5555120
  • ZINC08389339

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references
Homo sapiens GNAS complex locus 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_131570 All targets in OG5_131570
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni 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
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus 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
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni tar DNA-binding protein 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
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum TAR DNA-binding protein 43, putative 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 multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
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
Loa Loa (eye worm) hypothetical protein 0.0049 0.0143 0.0074
Echinococcus multilocularis tar DNA binding protein 0.0076 0.0817 0.0817
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.0171 0.3146 0.294
Plasmodium falciparum biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.0325 0.6941 0.5
Schistosoma mansoni bromodomain containing protein 0.0076 0.0815 0.0538
Loa Loa (eye worm) hypothetical protein 0.0052 0.02 0.0134
Brugia malayi RNA binding protein 0.0076 0.0817 0.0782
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.0708 0.0708
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0292 0.0232
Toxoplasma gondii pyruvate carboxylase 0.0171 0.3146 0.2839
Chlamydia trachomatis biotin carboxylase 0.0155 0.2758 1
Trypanosoma cruzi acetyl-CoA carboxylase 0.0278 0.5783 1
Leishmania major carboxylase, putative 0.0171 0.3146 0.2839
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain, AccA2 0.0171 0.3146 1
Trypanosoma brucei unspecified product 0.0112 0.1701 0.1329
Loa Loa (eye worm) carboxyl transferase domain-containing protein 0.0433 0.9612 1
Schistosoma mansoni propionyl-CoA carboxylase beta chain mitochondrial precursor 0.0061 0.0429 0.0141
Schistosoma mansoni acetyl-CoA carboxylase 0.0449 1 1
Schistosoma mansoni pyruvate carboxylase 0.0171 0.3146 0.294
Leishmania major methylcrotonoyl-coa carboxylase biotinylated subunitprotein-like protein 0.0171 0.3146 0.2839
Schistosoma mansoni hypothetical protein 0.0205 0.3979 0.3798
Mycobacterium tuberculosis Probable acetyl-/propionyl-coenzyme A carboxylase alpha chain (alpha subunit) AccA2: biotin carboxylase + biotin carboxyl carrie 0.0171 0.3146 1
Echinococcus granulosus propionyl coenzyme A carboxylase beta chain 0.0061 0.0429 0.0429
Echinococcus granulosus tar DNA binding protein 0.0076 0.0817 0.0817
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0817 0.054
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.0817 0.0782
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0292 0.023
Echinococcus granulosus geminin 0.0205 0.3979 0.3979
Mycobacterium tuberculosis Probable pyruvate carboxylase Pca (pyruvic carboxylase) 0.0171 0.3146 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0817 0.054
Wolbachia endosymbiont of Brugia malayi Acetyl/propionyl-CoA carboxylase, alpha subunit 0.0171 0.3146 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0292 0.0292
Entamoeba histolytica acetyl-coA carboxylase, putative 0.0077 0.0817 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0817 0.054
Leishmania major acetyl-CoA carboxylase, putative 0.0449 1 1
Mycobacterium ulcerans bifunctional protein acetyl-/propionyl-coenzyme a carboxylase (alpha chain) AccA3 0.0171 0.3146 1
Echinococcus multilocularis propionyl coenzyme A carboxylase beta chain 0.0061 0.0429 0.0429
Loa Loa (eye worm) hypothetical protein 0.0085 0.1037 0.1011
Loa Loa (eye worm) RNA binding protein 0.0076 0.0817 0.078
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0292 0.0292
Plasmodium vivax biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.0325 0.6941 0.5
Echinococcus multilocularis geminin 0.0205 0.3979 0.3979
Brugia malayi Bromodomain containing protein 0.0091 0.1164 0.1146
Loa Loa (eye worm) TAR-binding protein 0.0076 0.0817 0.078
Trypanosoma brucei acetyl-CoA carboxylase 0.0449 1 1
Brugia malayi TAR-binding protein 0.0076 0.0817 0.0782
Toxoplasma gondii acetyl-coA carboxylase ACC2 0.0449 1 1
Toxoplasma gondii acetyl-CoA carboxylase ACC1 0.0449 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0292 0.0292
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.0171 0.3146 0.2839
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.0171 0.3146 0.294
Mycobacterium ulcerans pyruvate carboxylase 0.0171 0.3146 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0817 0.054
Giardia lamblia Acetyl-CoA carboxylase/pyruvate carboxylase fusion protein, putative 0.0077 0.0817 0.5
Brugia malayi Carboxyl transferase domain containing protein 0.0433 0.9612 1
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.0171 0.3146 0.5074
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0292 0.0292
Echinococcus multilocularis acetyl coenzyme A carboxylase 1 0.0449 1 1
Mycobacterium leprae Probable bifunctional protein acetyl-/propionyl-coenzyme A carboxylase, alpha chain AccA3 (BccP) 0.0171 0.3146 1
Echinococcus granulosus propionyl coenzyme A carboxylase alpha chain 0.0171 0.3146 0.3146
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.0171 0.3146 0.2839
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.0171 0.3146 0.5074
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain AccA1 0.0171 0.3146 1
Schistosoma mansoni hypothetical protein 0.0205 0.3979 0.3798
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.0817 0.078
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0817 0.054
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.0708 0.0708
Echinococcus multilocularis propionyl coenzyme A carboxylase alpha chain 0.0171 0.3146 0.3146

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.7079 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 7.0795 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 8.2753 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 8.2753 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.3564 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) 20.5878 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) = 100 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum 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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