Detailed information for compound 1319664

Basic information

Technical information
  • TDR Targets ID: 1319664
  • Name: 4-(4-chloro-3-methylphenoxy)-N-(thiophen-2-yl methyl)butanamide
  • MW: 323.838 | Formula: C16H18ClNO2S
  • H donors: 1 H acceptors: 1 LogP: 3.7 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(NCc1cccs1)CCCOc1ccc(c(c1)C)Cl
  • InChi: 1S/C16H18ClNO2S/c1-12-10-13(6-7-15(12)17)20-8-2-5-16(19)18-11-14-4-3-9-21-14/h3-4,6-7,9-10H,2,5,8,11H2,1H3,(H,18,19)
  • InChiKey: GWAXZDMCEYTQQU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-(4-chloro-3-methyl-phenoxy)-N-(2-thienylmethyl)butanamide
  • 4-(4-chloro-3-methylphenoxy)-N-(2-thienylmethyl)butanamide
  • 4-(4-chloro-3-methyl-phenoxy)-N-(2-thienylmethyl)butyramide
  • 4-(4-chloro-3-methyl-phenoxy)-N-(thiophen-2-ylmethyl)butanamide
  • SMR000249217
  • T5286476
  • ZINC03374262
  • MLS000334459

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
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
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi RNA 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
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium tuberculosis Conserved protein 0.0357 1 1
Brugia malayi MH2 domain containing protein 0.0144 0.3795 1
Trypanosoma cruzi Diacylglycerol kinase catalytic domain containing protein, putative 0.0014 0 0.5
Trypanosoma cruzi Sphingosine kinase 0.0014 0 0.5
Brugia malayi RNA binding protein 0.0076 0.1823 0.4805
Trichomonas vaginalis diacylglycerol kinase, zeta, iota, putative 0.0014 0 0.5
Trichomonas vaginalis sphingosine kinase, putative 0.0014 0 0.5
Echinococcus granulosus tar DNA binding protein 0.0076 0.1823 0.1823
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.3795 0.3795
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1823 0.1823
Toxoplasma gondii diacylglycerol kinase accessory domain (presumed) domain-containing protein 0.0014 0 0.5
Schistosoma mansoni lamin 0.0033 0.0543 0.0543
Plasmodium vivax diacylglycerol kinase, putative 0.0014 0 0.5
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0103 0.0271
Echinococcus granulosus lamin 0.0033 0.0543 0.0543
Schistosoma mansoni sphingosine kinase A B 0.0357 1 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.1823 0.1823
Leishmania major diacylglycerol kinase, putative 0.0014 0 0.5
Plasmodium falciparum diacylglycerol kinase, putative 0.0014 0 0.5
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0543 0.0543
Brugia malayi intermediate filament protein 0.0033 0.0543 0.1432
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1823 0.1823
Loa Loa (eye worm) hypothetical protein 0.0016 0.0053 0.0053
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0543 0.0543
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0543 0.1432
Trypanosoma brucei Diacylglycerol kinase catalytic domain containing protein, putative 0.0014 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0033 0.0543 0.0543
Loa Loa (eye worm) hypothetical protein 0.0015 0.0035 0.0035
Onchocerca volvulus 0.0033 0.0543 1
Trichomonas vaginalis bmru protein, putative 0.0014 0 0.5
Echinococcus multilocularis lamin 0.0033 0.0543 0.0543
Leishmania major hypothetical protein, conserved 0.0014 0 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.1823 0.4805
Trichomonas vaginalis diacylglycerol kinase, putative 0.0014 0 0.5
Echinococcus granulosus lamin dm0 0.0033 0.0543 0.0543
Toxoplasma gondii diacylglycerol kinase catalytic domain-containing protein 0.0014 0 0.5
Trypanosoma cruzi diacylglycerol kinase, putative 0.0014 0 0.5
Plasmodium vivax diacylglycerol kinase, putative 0.0014 0 0.5
Entamoeba histolytica hypothetical protein, conserved 0.0357 1 1
Schistosoma mansoni sphingoid long chain base kinase 0.0357 1 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1823 0.1823
Loa Loa (eye worm) RNA binding protein 0.0076 0.1823 0.1823
Trypanosoma cruzi diacylglycerol kinase-like protein, putative 0.0014 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0014 0 0.5
Trichomonas vaginalis bmru protein, putative 0.0014 0 0.5
Leishmania major hypothetical protein, conserved 0.0014 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0357 1 1
Trichomonas vaginalis diacylglycerol kinase, zeta, iota, putative 0.0014 0 0.5
Trichomonas vaginalis sphingosine kinase, putative 0.0014 0 0.5
Trypanosoma cruzi diacylglycerol kinase, putative 0.0014 0 0.5
Echinococcus multilocularis musashi 0.0033 0.0543 0.0543
Leishmania major diacylglycerol kinase-like protein 0.0014 0 0.5
Echinococcus multilocularis sphingosine kinase 1 0.0357 1 1
Trypanosoma cruzi Sphingosine kinase 0.0014 0 0.5
Brugia malayi TAR-binding protein 0.0076 0.1823 0.4805
Trypanosoma brucei diacylglycerol kinase, putative 0.0014 0 0.5
Mycobacterium ulcerans hypothetical protein 0.0357 1 1
Toxoplasma gondii diacylglycerol kinase, putative 0.0014 0 0.5
Schistosoma mansoni intermediate filament proteins 0.0033 0.0543 0.0543
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1823 0.1823
Trichomonas vaginalis diacylglycerol kinase, epsilon, putative 0.0014 0 0.5
Trypanosoma brucei hypothetical protein, conserved 0.0014 0 0.5
Trichomonas vaginalis diacylglycerol kinase, putative 0.0014 0 0.5
Leishmania major sphingosine kinase A, B, putative 0.0014 0 0.5
Plasmodium falciparum diacylglycerol kinase, putative 0.0014 0 0.5
Echinococcus multilocularis tar DNA binding protein 0.0076 0.1823 0.1823
Echinococcus multilocularis lamin dm0 0.0033 0.0543 0.0543
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0103 0.0103
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1823 0.1823
Schistosoma mansoni lamin 0.0033 0.0543 0.0543
Trypanosoma brucei Sphingosine kinase 0.0014 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0032 0.0526 0.0526
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0016 0.0053 0.0053
Trypanosoma cruzi diacylglycerol kinase-like protein, putative 0.0014 0 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0014 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0015 0.0035 0.0035
Onchocerca volvulus 0.0033 0.0543 1
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.3795 0.3795
Echinococcus granulosus intermediate filament protein 0.0033 0.0543 0.0543
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0016 0.0053 0.0053
Loa Loa (eye worm) TAR-binding protein 0.0076 0.1823 0.1823

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 5.6234 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.8489 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 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) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) = 56.2341 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ] ChEMBL. No reference
Potency (functional) = 56.2341 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ] ChEMBL. No reference
Potency (functional) 79.4328 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
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] 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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