Detailed information for compound 435682

Basic information

Technical information
  • TDR Targets ID: 435682
  • Name: 3-acetamido-4-morpholin-4-ylbenzoic acid
  • MW: 264.277 | Formula: C13H16N2O4
  • H donors: 2 H acceptors: 3 LogP: 0.37 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)Nc1cc(ccc1N1CCOCC1)C(=O)O
  • InChi: 1S/C13H16N2O4/c1-9(16)14-11-8-10(13(17)18)2-3-12(11)15-4-6-19-7-5-15/h2-3,8H,4-7H2,1H3,(H,14,16)(H,17,18)
  • InChiKey: RFVGLZKCGGAOQC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-acetamido-4-morpholino-benzoic acid
  • 3-acetamido-4-morpholinobenzoic acid
  • 3-acetamido-4-morpholin-4-yl-benzoic acid
  • 3-Acetylamino-4-morpholin-4-yl-benzoic acid
  • BAS 03240612
  • ST5016413

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
Echinococcus multilocularis mitogen activated protein kinase 14 0.0368 0.696 1
Trypanosoma brucei ferric reductase transmembrane protein, putative 0.0242 0.4359 0.6169
Schistosoma mansoni inositol monophosphatase 0.004 0.0191 0.0384
Trichomonas vaginalis set domain proteins, putative 0.0252 0.4558 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.017 0.0147
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0039 0.017 0.0336
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.0371 0.0347
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.004 0.0191 0.003
Mycobacterium tuberculosis Conserved protein 0.0039 0.017 0.0149
Onchocerca volvulus 0.0039 0.017 0.0147
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.004 0.0191 1
Echinococcus granulosus sterol O acyltransferase 1 0.0243 0.4381 0.6295
Mycobacterium tuberculosis Conserved protein 0.0039 0.017 0.0149
Schistosoma mansoni inositol monophosphatase 0.004 0.0191 0.0384
Loa Loa (eye worm) beta-lactamase 0.0039 0.017 0.0147
Brugia malayi Pre-SET motif family protein 0.0221 0.3928 0.3914
Echinococcus granulosus mitogen activated protein kinase 14 0.0368 0.696 1
Plasmodium vivax hypothetical protein, conserved 0.0039 0.017 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0248 0.4483 1
Schistosoma mansoni hypothetical protein 0.0033 0.0054 0.0069
Echinococcus granulosus inositol monophosphatase 1 0.004 0.0191 0.0275
Brugia malayi P38 map kinase family protein 2 0.0368 0.696 0.6952
Trichomonas vaginalis inositol monophosphatase, putative 0.004 0.0191 0.0047
Loa Loa (eye worm) inositol-1 0.004 0.0191 0.0168
Onchocerca volvulus 0.0039 0.017 0.0147
Loa Loa (eye worm) hypothetical protein 0.0033 0.0054 0.003
Entamoeba histolytica hypothetical protein 0.0069 0.0795 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.017 0.0147
Brugia malayi beta-lactamase 0.0039 0.017 0.0147
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.004 0.0191 0.5
Toxoplasma gondii ABC1 family protein 0.0039 0.017 0.8762
Loa Loa (eye worm) hypothetical protein 0.0048 0.0371 0.0347
Trypanosoma cruzi ferric reductase transmembrane protein, putative 0.0242 0.4359 0.6169
Leishmania major mitogen-activated protein kinase 3, putative,map kinase 3, putative 0.0368 0.696 1
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 0.0368 0.696 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0039 0.017 0.0211
Onchocerca volvulus Dual oxidase homolog 0.0515 1 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.017 0.0147
Echinococcus multilocularis mitogen activated protein kinase 14 0.0368 0.696 1
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0039 0.017 0.0149
Trypanosoma brucei mitogen-activated protein kinase 3, putative 0.0368 0.696 1
Loa Loa (eye worm) hypothetical protein 0.0273 0.5011 0.4999
Echinococcus multilocularis inositol monophosphatase 1 0.004 0.0191 0.0241
Loa Loa (eye worm) hypothetical protein 0.0219 0.3891 0.3877
Onchocerca volvulus 0.0252 0.4558 0.4545
Loa Loa (eye worm) hypothetical protein 0.0039 0.017 0.0147
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.0371 0.0347
Brugia malayi beta-lactamase family protein 0.0039 0.017 0.0147
Leishmania major ferric reductase, putative 0.0242 0.4359 0.6169
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 0.0368 0.696 1
Echinococcus multilocularis mitogen activated protein kinase 11 0.0368 0.696 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0032 0.0024 0.0035
Echinococcus granulosus beta LACTamase domain containing family member 0.0039 0.017 0.0245
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.0371 0.0347
Onchocerca volvulus 0.0039 0.017 0.0147
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0039 0.017 0.0336
Treponema pallidum hypothetical protein 0.0069 0.0795 0.5
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0039 0.017 0.0149
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.004 0.0191 0.003
Mycobacterium leprae Probable lipase LipE 0.0039 0.017 1
Mycobacterium tuberculosis Probable esterase LipL 0.0039 0.017 0.0149
Mycobacterium leprae conserved hypothetical protein 0.0039 0.017 1
Schistosoma mansoni sterol O-acyltransferase 1 0.0243 0.4381 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.004 0.0191 0.003
Mycobacterium tuberculosis Probable lipase LipE 0.0039 0.017 0.0149
Echinococcus granulosus mitogen activated protein kinase 11 0.0368 0.696 1
Brugia malayi Inositol-1 0.004 0.0191 0.0168
Trypanosoma cruzi ferric reductase transmembrane protein, putative 0.0242 0.4359 0.6169
Loa Loa (eye worm) blistered cuticle protein 3 0.0515 1 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.004 0.0191 0.0047
Mycobacterium tuberculosis Conserved protein 0.0039 0.017 0.0149
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.004 0.0191 0.003
Echinococcus multilocularis sterol O acyltransferase 1 0.0243 0.4381 0.6282
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0221 0.3928 0.3914
Loa Loa (eye worm) hypothetical protein 0.0243 0.4381 0.4367
Loa Loa (eye worm) hypothetical protein 0.0039 0.017 0.0147
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0039 0.017 0.0147
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0054 0.003
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0039 0.017 0.0147
Trichomonas vaginalis myo inositol monophosphatase, putative 0.004 0.0191 0.0047
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0039 0.017 0.0149
Echinococcus multilocularis mitogen activated protein kinase 11 0.0368 0.696 1
Loa Loa (eye worm) CMGC/MAPK/P38 protein kinase 0.0368 0.696 0.6952
Brugia malayi beta-lactamase family protein 0.0039 0.017 0.0147
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.004 0.0191 1
Mycobacterium tuberculosis Probable hydrolase 0.0039 0.017 0.0149
Loa Loa (eye worm) hypothetical protein 0.0039 0.017 0.0147
Mycobacterium tuberculosis Probable lipase LipD 0.0039 0.017 0.0149

Activities

Activity type Activity value Assay description Source Reference
I50 (binding) = 0.58 mM Inhibition of Trypanosoma cruzi recombinant Trans-sialidase ChEMBL. 17218104

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

1 literature reference was collected for this gene.

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