Detailed information for compound 1418388

Basic information

Technical information
  • TDR Targets ID: 1418388
  • Name: N-(3-chloro-4-methylphenyl)-2-methoxyacetamid e
  • MW: 213.661 | Formula: C10H12ClNO2
  • H donors: 1 H acceptors: 1 LogP: 1.97 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCC(=O)Nc1ccc(c(c1)Cl)C
  • InChi: 1S/C10H12ClNO2/c1-7-3-4-8(5-9(7)11)12-10(13)6-14-2/h3-5H,6H2,1-2H3,(H,12,13)
  • InChiKey: UTYPTAMKBGXNAV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(3-chloro-4-methyl-phenyl)-2-methoxy-acetamide
  • N-(3-chloro-4-methyl-phenyl)-2-methoxy-ethanamide
  • MLS000062624
  • SMR000071161
  • ZINC00363471
  • AN-652/41313307
  • SDCCGMLS-0042427.P002

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens hydroxyprostaglandin dehydrogenase 15-(NAD) Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum steroid dehydrogenase, putative hydroxyprostaglandin dehydrogenase 15-(NAD) 266 aa 216 aa 22.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.2768 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0008 0.0008
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0008 0.0008
Loa Loa (eye worm) hypothetical protein 0.0056 0.9043 0.9043
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.2768 0.3055
Echinococcus granulosus sentrin specific protease 1 0.0056 0.9043 1
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.2768 0.3055
Schistosoma mansoni hypothetical protein 0.0041 0.5371 0.594
Loa Loa (eye worm) isocitrate dehydrogenase 0.0019 0.0008 0.0008
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.2768 0.3055
Schistosoma mansoni family C48 unassigned peptidase (C48 family) 0.0056 0.9043 1
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0056 0.9043 0.5
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0019 0.0008 0.0008
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0019 0.0008 0.0008
Toxoplasma gondii Ulp1 protease family, C-terminal catalytic domain-containing protein 0.0056 0.9043 1
Plasmodium vivax sentrin-specific protease 1, putative 0.0056 0.9043 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 1 1
Echinococcus multilocularis sentrin specific protease 1 0.0056 0.9043 1
Brugia malayi Ulp1 protease family, C-terminal catalytic domain containing protein 0.0056 0.9043 0.9043
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.5371 0.5371
Plasmodium falciparum sentrin-specific protease 1 0.0056 0.9043 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0008 0.0008
Loa Loa (eye worm) hypothetical protein 0.0041 0.5371 0.5371
Brugia malayi isocitrate dehydrogenase 0.0019 0.0008 0.0008
Schistosoma mansoni family C48 unassigned peptidase (C48 family) 0.0056 0.9043 1
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.2768 0.3055
Brugia malayi hypothetical protein 0.0019 0.0147 0.0147
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.2768 1
Entamoeba histolytica Ulp1 protease family, C-terminal catalytic domain containing protein 0.0056 0.9043 0.5
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0019 0.0008 0.5
Loa Loa (eye worm) hypothetical protein 0.006 1 1
Echinococcus multilocularis isocitrate dehydrogenase 0.0019 0.0008 0.0008
Leishmania major hypothetical protein, conserved 0.003 0.2768 1
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.2768 1
Loa Loa (eye worm) hypothetical protein 0.003 0.2768 0.2768
Brugia malayi Isocitrate dehydrogenase 0.0019 0.0008 0.0008
Brugia malayi hypothetical protein 0.003 0.2768 0.2768
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0019 0.0008 0.0008
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) 22.3872 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) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors: Potentiation with Lithium. (Class of assay: confirmatory) [Related pubchem assays: 901 ] ChEMBL. No reference
Potency (functional) 89.1251 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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