Detailed information for compound 1197965

Basic information

Technical information
  • TDR Targets ID: 1197965
  • Name: SMR000456349
  • MW: 337.394 | Formula: C15H19N3O4S
  • H donors: 1 H acceptors: 3 LogP: 1.44 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1onc(c1S(=O)(=O)Nc1ccccc1N1CCOCC1)C
  • InChi: 1S/C15H19N3O4S/c1-11-15(12(2)22-16-11)23(19,20)17-13-5-3-4-6-14(13)18-7-9-21-10-8-18/h3-6,17H,7-10H2,1-2H3
  • InChiKey: SQLSADGEPLUWCO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ZINC00154007
  • 3,5-dimethyl-N-(2-morpholinophenyl)-4-isoxazolesulfonamide
  • MLS000850331

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
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0161 0.6427 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0242 1 1
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0161 0.6427 0.5
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0161 0.6427 1
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.0107 0.405 0.5677
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.0107 0.405 0.5677
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0161 0.6427 1
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0161 0.6427 1
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0071 0.2478 0.3856
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0036 0.0928 0.5
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0161 0.6427 1
Brugia malayi Inositol-1 0.0036 0.0928 0.0264
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0107 0.405 0.6302
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0161 0.6427 1
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0161 0.6427 1
Trichomonas vaginalis conserved hypothetical protein 0.0161 0.6427 1
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0161 0.6427 1
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0032 0.0761 0.5
Loa Loa (eye worm) inositol-1 0.0036 0.0928 0.0764
Schistosoma mansoni inositol monophosphatase 0.0036 0.0928 0.1445
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0161 0.6427 0.6165
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0928 0.0429
Echinococcus multilocularis Glycoside hydrolase, family 27 0.0107 0.405 0.5677
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0107 0.405 0.6302
Brugia malayi Melibiase family protein 0.0071 0.2478 0.1928
Loa Loa (eye worm) hypothetical protein 0.0161 0.6427 0.6362
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0928 0.0429
Schistosoma mansoni inositol monophosphatase 0.0036 0.0928 0.1445
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0928 0.0429
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative 0.0071 0.2478 0.2819
Echinococcus granulosus ubiquitin specific protease 41 0.0161 0.6427 1
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0928 0.0429
Loa Loa (eye worm) cytochrome P450 family protein 0.0031 0.0682 0.0514
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0161 0.6427 1
Echinococcus multilocularis ubiquitin specific protease 41 0.0161 0.6427 1
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0161 0.6427 1
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0107 0.405 0.6302
Loa Loa (eye worm) CYP4Cod1 0.0031 0.0682 0.0514
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0161 0.6427 1
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0107 0.405 0.6302
Loa Loa (eye worm) hypothetical protein 0.0071 0.2478 0.2342
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0036 0.0928 0.2292
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0161 0.6427 1
Toxoplasma gondii melibiase subfamily protein 0.0107 0.405 1
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0032 0.0761 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0031 0.0682 0.0514
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0036 0.0928 1
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0071 0.2478 0.3856
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0161 0.6427 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.5623 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) 11.6891 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) = 100 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
Plasmodium falciparum ChEMBL23

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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