Detailed information for compound 1429293

Basic information

Technical information
  • TDR Targets ID: 1429293
  • Name: 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(3-i midazol-1-ylpropyl)benzamide hydrochloride
  • MW: 442.96 | Formula: C19H27ClN4O4S
  • H donors: 1 H acceptors: 4 LogP: 1.72 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC1OC(C)CN(C1)S(=O)(=O)c1cccc(c1)C(=O)NCCCn1cncc1.Cl
  • InChi: 1S/C19H26N4O4S.ClH/c1-15-12-23(13-16(2)27-15)28(25,26)18-6-3-5-17(11-18)19(24)21-7-4-9-22-10-8-20-14-22;/h3,5-6,8,10-11,14-16H,4,7,9,12-13H2,1-2H3,(H,21,24);1H
  • InChiKey: YOTLILGXLKJWCC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-[(2,6-dimethyl-4-morpholinyl)sulfonyl]-N-[3-(1-imidazolyl)propyl]benzamide hydrochloride
  • T0505-7887
  • MLS000569371
  • SMR000155020

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
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.0035 0.0044
Schistosoma mansoni hypothetical protein 0.0699 0.7963 1
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0028 0.0035
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0028 0.0035
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0028 0.0035
Schistosoma mansoni cpg binding protein 0.003 0.0294 0.0369
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0632 0.0793
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0028 0.0035
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0028 0.0035
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0006 0.0028 0.0035
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.009 0.0985 0.1237
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0028 0.0035
Mycobacterium tuberculosis Conserved protein 0.0699 0.7963 1
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0632 0.0793
Mycobacterium tuberculosis Conserved hypothetical protein 0.0699 0.7963 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0028 0.0035
Echinococcus granulosus cpg binding protein 0.003 0.0294 0.0369
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0028 0.0035
Echinococcus multilocularis Transglutaminase 0.0699 0.7963 1
Mycobacterium ulcerans hypothetical protein 0.0699 0.7963 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0055 0.0069
Echinococcus granulosus Transglutaminase 0.0699 0.7963 1
Schistosoma mansoni hypothetical protein 0.0168 0.1881 0.2363
Echinococcus granulosus dnaJ subfamily B 0.0398 0.4508 0.5661
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0059 0.0632 0.0793
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0028 0.0035
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0059 0.0632 0.0793
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0006 0.0028 0.0035
Schistosoma mansoni cpg binding protein 0.003 0.0294 0.0369
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0059 0.0632 0.5
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0059 0.0634 0.0796
Giardia lamblia Transglutaminase/protease, putative 0.0699 0.7963 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.009 0.0985 0.1237
Brugia malayi Thioredoxin family protein 0.0699 0.7963 1
Mycobacterium ulcerans putative transglutaminase-like protein 0.0699 0.7963 1
Echinococcus granulosus mixed lineage leukemia protein mll 0.0007 0.0035 0.0044
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0028 0.0035
Mycobacterium leprae Conserved hypothetical protein 0.0699 0.7963 0.5
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0007 0.0035 0.0044
Mycobacterium tuberculosis Long conserved protein 0.0699 0.7963 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.009 0.0985 0.1237
Entamoeba histolytica G protein alpha subunit, putative 0.0004 0 0.5
Echinococcus granulosus geminin 0.0168 0.1881 0.2363
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0055 0.0555
Mycobacterium ulcerans transglutaminase family protein 0.0699 0.7963 1
Trichomonas vaginalis helicase, putative 0.0006 0.0028 0.0035
Mycobacterium leprae Conserved hypothetical protein 0.0699 0.7963 0.5
Echinococcus multilocularis geminin 0.0168 0.1881 0.2363
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.009 0.0985 0.1237
Mycobacterium ulcerans hypothetical protein 0.0699 0.7963 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0055 0.0069
Schistosoma mansoni hypothetical protein 0.0398 0.4508 0.5661
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.009 0.0985 0.1237
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0007 0.0035 0.0044
Mycobacterium tuberculosis Hypothetical protein 0.0699 0.7963 1
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0028 0.0035
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0028 0.0035
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0053 0.0067
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0007 0.0035 0.0044
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0028 0.0035
Schistosoma mansoni cpg binding protein 0.0028 0.0275 0.0346
Brugia malayi CXXC zinc finger family protein 0.0028 0.0275 0.0346
Echinococcus multilocularis dnaJ subfamily B 0.0398 0.4508 0.5661
Toxoplasma gondii aldehyde dehydrogenase 0.0059 0.0632 1
Giardia lamblia Hypothetical protein 0.0699 0.7963 0.5
Onchocerca volvulus 0.0028 0.0275 0.0275
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0004 0.0002 0.0002
Echinococcus multilocularis cpg binding protein 0.003 0.0294 0.0369
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0028 0.0035
Trichomonas vaginalis peptide N-glycanase, putative 0.0699 0.7963 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.009 0.0985 0.1237
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.009 0.0985 0.1237
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0275 0.2797
Mycobacterium tuberculosis Conserved hypothetical protein 0.0699 0.7963 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.009 0.0985 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.009 0.0985 0.1237
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0028 0.0035
Schistosoma mansoni hypothetical protein 0.0168 0.1881 0.2363

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 25.1189 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

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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