Detailed information for compound 1445264

Basic information

Technical information
  • TDR Targets ID: 1445264
  • Name: 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)- N-(3-methylbutyl)acetamide
  • MW: 384.49 | Formula: C18H28N2O5S
  • H donors: 1 H acceptors: 3 LogP: 1.57 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1S(=O)(=O)N1CCOCC1)CC(=O)NCCC(C)C
  • InChi: 1S/C18H28N2O5S/c1-14(2)6-7-19-18(21)13-15-4-5-16(24-3)17(12-15)26(22,23)20-8-10-25-11-9-20/h4-5,12,14H,6-11,13H2,1-3H3,(H,19,21)
  • InChiKey: AUILCTCBDIVHCG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-isopentyl-2-(4-methoxy-3-morpholinosulfonyl-phenyl)acetamide
  • N-isopentyl-2-(4-methoxy-3-morpholinosulfonylphenyl)acetamide
  • N-isoamyl-2-(4-methoxy-3-morpholinosulfonyl-phenyl)acetamide
  • 2-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)-N-(3-methylbutyl)ethanamide
  • MLS000775092
  • SMR000364533
  • T5330478
  • ZINC03453950

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
Brugia malayi Calcitonin receptor-like protein seb-1 0.0055 0.0141 0.0161
Echinococcus multilocularis neuropeptide s receptor 0.0512 0.2475 1
Toxoplasma gondii sphingolipid delta 4 desaturase/c-4 hydroxylase protein des2 family protein 0.0244 0.1106 0.5
Brugia malayi Bromodomain containing protein 0.0083 0.0283 0.0324
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0066 0.0197 0.0557
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0055 0.0141 0.0103
Schistosoma mansoni hypothetical protein 0.0045 0.0089 0.0357
Plasmodium falciparum stearoyl-CoA desaturase 0.1741 0.8753 0.5
Trypanosoma brucei fatty acid desaturase, putative 0.1985 1 1
Brugia malayi Delta5 fatty acid desaturase 0.0244 0.1106 0.1263
Loa Loa (eye worm) hypothetical protein 0.0078 0.0259 0.0238
Loa Loa (eye worm) fatty acid desaturase 0.0244 0.1106 0.1211
Echinococcus multilocularis Fatty acid desaturase, type 1 0.0244 0.1106 0.4325
Loa Loa (eye worm) hypothetical protein 0.0047 0.01 0.0056
Echinococcus multilocularis Peptidase M, neutral zinc metallopeptidases, zinc binding site 0.0244 0.1106 0.4325
Mycobacterium tuberculosis Probable transmembrane alkane 1-monooxygenase AlkB (alkane 1-hydroxylase) (lauric acid omega-hydroxylase) (omega-hydroxylase) (f 0.0244 0.1106 0.5
Brugia malayi Bromodomain containing protein 0.0042 0.0076 0.0087
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0109 0.0416 0.5
Schistosoma mansoni cellular tumor antigen P53 0.0055 0.0139 0.0825
Brugia malayi Fatty acid desaturase family protein 0.0244 0.1106 0.1263
Loa Loa (eye worm) hypothetical protein 0.0055 0.0141 0.0103
Loa Loa (eye worm) fatty acid desaturase 0.0244 0.1106 0.1211
Echinococcus multilocularis geminin 0.0188 0.0818 0.3131
Echinococcus multilocularis Niemann Pick C1 protein 0.0156 0.0655 0.2457
Trypanosoma cruzi fatty acid desaturase, putative 0.1741 0.8753 0.8598
Echinococcus granulosus Sphingolipid delta4 desaturase DES1 0.0244 0.1106 0.4325
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0055 0.0141 0.0161
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0098 0.5
Schistosoma mansoni hypothetical protein 0.0188 0.0818 0.7265
Echinococcus granulosus expressed conserved protein 0.0102 0.0382 0.1326
Brugia malayi CHE-14 protein 0.0047 0.0098 0.0112
Schistosoma mansoni hypothetical protein 0.0045 0.0089 0.0357
Mycobacterium ulcerans linoleoyl-CoA desaturase, DesA3_2 0.0244 0.1106 0.5
Echinococcus granulosus neuropeptide receptor A26 0.0512 0.2475 1
Schistosoma mansoni hypothetical protein 0.0045 0.0089 0.0357
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0066 0.0197 0.0557
Mycobacterium ulcerans electron transfer protein FdxB 0.0244 0.1106 0.5
Mycobacterium ulcerans linoleoyl-CoA desaturase, DesA3 0.0244 0.1106 0.5
Echinococcus multilocularis protein dispatched 1 0.0053 0.0132 0.0288
Schistosoma mansoni patched 1 0.0047 0.0098 0.0439
Mycobacterium ulcerans transmembrane alkane 1-monooxygenase AlkB 0.0244 0.1106 0.5
Echinococcus multilocularis neuropeptide receptor A26 0.0512 0.2475 1
Brugia malayi acyl-CoA desaturase 0.1741 0.8753 1
Echinococcus granulosus neuropeptide s receptor 0.0512 0.2475 1
Brugia malayi Niemann-Pick C1 protein precursor 0.0109 0.0416 0.0475
Echinococcus multilocularis Peptidase M, neutral zinc metallopeptidases, zinc binding site 0.0244 0.1106 0.4325
Echinococcus multilocularis tumor protein p63 0.0374 0.177 0.708
Loa Loa (eye worm) hypothetical protein 0.0057 0.0152 0.0115
Trypanosoma cruzi fatty acid desaturase, putative 0.1985 1 1
Leishmania major fatty-acid desaturase, putative 0.1985 1 1
Echinococcus multilocularis expressed conserved protein 0.0102 0.0382 0.1326
Plasmodium vivax stearoyl-CoA desaturase (acyl-CoA desaturase, faty acid desaturase), putative 0.1741 0.8753 0.5
Echinococcus granulosus Protein patched homolog 1 0.0047 0.0098 0.0148
Loa Loa (eye worm) hypothetical protein 0.0042 0.0076 0.0028
Mycobacterium tuberculosis Probable conserved membrane protein 0.0244 0.1106 0.5
Schistosoma mansoni bromodomain containing protein 0.007 0.0217 0.1567
Echinococcus multilocularis protein patched 0.0047 0.0098 0.0148
Loa Loa (eye worm) hypothetical protein 0.0047 0.0098 0.0053
Schistosoma mansoni hypothetical protein 0.0188 0.0818 0.7265
Loa Loa (eye worm) FAT-3 protein 0.0244 0.1106 0.1211
Mycobacterium tuberculosis Possible electron transfer protein FdxB 0.0244 0.1106 0.5
Onchocerca volvulus 0.1985 1 1
Brugia malayi latrophilin 2 splice variant baaae 0.0038 0.0052 0.0059
Echinococcus granulosus geminin 0.0188 0.0818 0.3131
Echinococcus granulosus Fatty acid desaturase type 1 0.0244 0.1106 0.4325
Onchocerca volvulus 0.1985 1 1
Schistosoma mansoni fatty acid desaturase 0.0244 0.1106 1
Loa Loa (eye worm) hypothetical protein 0.0055 0.0139 0.01
Mycobacterium ulcerans hypothetical protein 0.0244 0.1106 0.5
Trypanosoma cruzi fatty acid desaturase, putative 0.1741 0.8753 0.8598
Loa Loa (eye worm) hypothetical protein 0.0045 0.009 0.0043
Onchocerca volvulus 0.0244 0.1106 0.0981
Brugia malayi Fatty acid desaturase family protein 0.0244 0.1106 0.1263
Loa Loa (eye worm) hypothetical protein 0.0244 0.1106 0.1211
Echinococcus multilocularis sterol regulatory element binding protein 0.0047 0.0098 0.0148
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0111 0.0425 0.3537
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0047 0.0098 0.0053
Schistosoma mansoni hypothetical protein 0.0045 0.0089 0.0357
Mycobacterium ulcerans hypothetical protein 0.0244 0.1106 0.5
Echinococcus granulosus Niemann Pick C1 protein 0.0156 0.0655 0.2457
Echinococcus granulosus sterol regulatory element binding protein 0.0047 0.0098 0.0148
Echinococcus granulosus Niemann Pick C1 protein 0.0109 0.0416 0.1466
Loa Loa (eye worm) acyl-CoA desaturase 0.1741 0.8753 1
Mycobacterium ulcerans linoleoyl-CoA desaturase, DesA3 0.0244 0.1106 0.5
Echinococcus granulosus tumor protein p63 0.0374 0.177 0.708
Loa Loa (eye worm) hypothetical protein 0.0109 0.0416 0.0418
Echinococcus multilocularis Niemann Pick C1 protein 0.0109 0.0416 0.1466

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 89.1251 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 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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