Detailed information for compound 1349624

Basic information

Technical information
  • TDR Targets ID: 1349624
  • Name: N-[2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyr imidin-7-yl)methoxy]phenyl]acetamide
  • MW: 329.374 | Formula: C16H15N3O3S
  • H donors: 1 H acceptors: 2 LogP: 1.2 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)Nc1ccccc1OCc1cc(=O)n2c(n1)scc2C
  • InChi: 1S/C16H15N3O3S/c1-10-9-23-16-18-12(7-15(21)19(10)16)8-22-14-6-4-3-5-13(14)17-11(2)20/h3-7,9H,8H2,1-2H3,(H,17,20)
  • InChiKey: RVRJEOIOZYBVCG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[2-[(3-methyl-5-oxo-thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]acetamide
  • N-[2-[(3-methyl-5-oxo-7-thiazolo[3,2-a]pyrimidinyl)methoxy]phenyl]acetamide
  • N-[2-[(5-keto-3-methyl-thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]acetamide
  • N-[2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]ethanamide
  • C679-5293
  • NCGC00111310-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens relaxin/insulin-like family peptide receptor 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
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 granulosus caspase 3 0.0243 0.6157 0.6091
Mycobacterium ulcerans hypothetical protein 0.0043 0.0168 0.5
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0128 0.2709 1
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0128 0.2709 1
Loa Loa (eye worm) hypothetical protein 0.0061 0.0687 0.1681
Onchocerca volvulus 0.0043 0.0168 0.0412
Loa Loa (eye worm) hypothetical protein 0.0054 0.048 0.1176
Echinococcus multilocularis apoptotic protease activating factor 1 0.0046 0.0243 0.0075
Trichomonas vaginalis conserved hypothetical protein 0.0128 0.2709 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0168 0.0412
Echinococcus granulosus caspase 2 0.0174 0.4086 0.3985
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0168 0.0412
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0064 0.0769 0.0611
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0128 0.2709 1
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0128 0.2709 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0168 0.0412
Trypanosoma brucei metacaspase 5, putative 0.0128 0.2709 1
Plasmodium vivax metacaspase 1, putative 0.0128 0.2709 1
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0128 0.2709 1
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0128 0.2709 1
Schistosoma mansoni caspase-7 (C14 family) 0.0372 1 1
Brugia malayi mucosa associated lymphoid tissue lymphoma translocation protein 1 0.0128 0.2709 0.6486
Echinococcus granulosus apoptotic protease activating factor 1 0.0046 0.0243 0.0075
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0128 0.2709 1
Trichomonas vaginalis conserved hypothetical protein 0.0128 0.2709 1
Echinococcus granulosus caspase 0.0372 1 1
Trypanosoma cruzi metacaspase 5, putative 0.0128 0.2709 1
Loa Loa (eye worm) calpain family protein 1 0.0061 0.0687 0.1681
Echinococcus multilocularis caspase 0.0372 1 1
Brugia malayi Cell death protein 3 precursor 0.0174 0.4086 1
Loa Loa (eye worm) beta-lactamase 0.0043 0.0168 0.0412
Trichomonas vaginalis conserved hypothetical protein 0.0128 0.2709 1
Plasmodium falciparum metacaspase-like protein 0.0128 0.2709 0.5
Trypanosoma brucei metacaspase MCA2 0.0128 0.2709 1
Mycobacterium ulcerans lipase LipD 0.0043 0.0168 0.5
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0168 0.5
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0168 0.5
Trypanosoma cruzi metacaspase, putative 0.0128 0.2709 1
Brugia malayi hypothetical protein 0.0046 0.0243 0.0189
Trichomonas vaginalis conserved hypothetical protein 0.0128 0.2709 1
Echinococcus multilocularis caspase 2 0.0174 0.4086 0.3985
Leishmania major metacaspase, putative 0.0128 0.2709 1
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0128 0.2709 1
Trypanosoma brucei metacaspase 0.0128 0.2709 1
Brugia malayi calpain family protein 1 0.0061 0.0687 0.1323
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0128 0.2709 1
Echinococcus multilocularis calpain A 0.0064 0.0769 0.0611
Trypanosoma cruzi metacaspase, putative 0.0128 0.2709 1
Onchocerca volvulus 0.0043 0.0168 0.0412
Loa Loa (eye worm) hypothetical protein 0.0043 0.0168 0.0412
Brugia malayi calpain family protein 1 0.0061 0.0687 0.1323
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) 0.0064 0.0769 0.0611
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.7188 1
Schistosoma mansoni caspase-3 (C14 family) 0.0372 1 1
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0064 0.0769 0.0611
Onchocerca volvulus 0.0046 0.0243 0.0594
Mycobacterium leprae Probable lipase LipE 0.0043 0.0168 0.5
Loa Loa (eye worm) hypothetical protein 0.0043 0.0168 0.0412
Loa Loa (eye worm) hypothetical protein 0.0046 0.0243 0.0594
Loa Loa (eye worm) hypothetical protein 0.0174 0.4086 1
Trypanosoma brucei metacaspase MCA3 0.0128 0.2709 1
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0168 0.5
Plasmodium vivax hypothetical protein, conserved 0.0128 0.2709 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0168 0.0412
Echinococcus multilocularis calpain family protein 1, d 0.0045 0.0207 0.0039
Echinococcus granulosus caspase 8 0.0128 0.2709 0.2584
Echinococcus multilocularis caspase 8 0.0128 0.2709 0.2584
Loa Loa (eye worm) hypothetical protein 0.0043 0.0168 0.0412
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0128 0.2709 1
Echinococcus granulosus calpain A 0.0064 0.0769 0.0611
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0128 0.2709 1
Echinococcus granulosus family C2 unassigned peptidase C02 family 0.0064 0.0769 0.0611
Onchocerca volvulus 0.0043 0.0168 0.0412
Schistosoma mansoni hypothetical protein 0.0046 0.0243 0.0075
Echinococcus multilocularis caspase 3 0.0243 0.6157 0.6091
Trypanosoma cruzi metacaspase, putative 0.0128 0.2709 1
Loa Loa (eye worm) hypothetical protein 0.0045 0.0207 0.0505
Trypanosoma cruzi metacaspase, putative 0.0128 0.2709 1
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0061 0.0687 0.0527
Loa Loa (eye worm) hypothetical protein 0.0128 0.2709 0.6631
Schistosoma mansoni caspase-7 (C14 family) 0.0174 0.4086 0.3985
Trichomonas vaginalis conserved hypothetical protein 0.0128 0.2709 1
Echinococcus multilocularis caspase 3, apoptosis cysteine peptidase 0.0372 1 1
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0128 0.2709 1
Plasmodium falciparum metacaspase 1 0.0128 0.2709 0.5
Loa Loa (eye worm) calpain family protein 1 0.0045 0.0207 0.0505
Trypanosoma brucei Metacaspase-4 0.0128 0.2709 1
Trypanosoma cruzi metacaspase 5, putative 0.0128 0.2709 1
Mycobacterium ulcerans beta-lactamase 0.0043 0.0168 0.5
Onchocerca volvulus Cell death protein 3 homolog 0.0174 0.4086 1
Schistosoma mansoni subfamily C14A unassigned peptidase (C14 family) 0.0128 0.2709 0.2584
Trichomonas vaginalis conserved hypothetical protein 0.0128 0.2709 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 5.0119 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) = 17.7828 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Relaxin Receptor RXFP1. (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
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

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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