Detailed information for compound 422325

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 324.826 | Formula: C15H17ClN2O2S
  • H donors: 1 H acceptors: 2 LogP: 3.47 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCN(S(=O)(=O)c1ccc(cc1)N)c1ccc(cc1)Cl
  • InChi: 1S/C15H17ClN2O2S/c1-2-11-18(14-7-3-12(16)4-8-14)21(19,20)15-9-5-13(17)6-10-15/h3-10H,2,11,17H2,1H3
  • InChiKey: KDAVDBCYOOKZGX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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 cathepsin B-like peptidase (C01 family) 0.0272 0.2855 0.2689
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0175 0.1651 0.1456
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0061 0.0228 0.0308
Loa Loa (eye worm) hypothetical protein 0.0048 0.007 0.0095
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0161 0.1479 0.1281
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0635 0.739 0.7329
Leishmania major eukaryotic initiation factor 4a, putative 0.0635 0.739 1
Loa Loa (eye worm) hypothetical protein 0.0161 0.1479 0.2002
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0061 0.0228 0.0308
Brugia malayi cathepsin B-like cysteine proteinase 0.0272 0.2855 0.3864
Leishmania major eukaryotic initiation factor 4a, putative 0.0635 0.739 1
Trypanosoma brucei calpain-like protein, putative 0.0061 0.0228 0.0308
Loa Loa (eye worm) calpain 0.0061 0.0228 0.0308
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.009 0.0587 0.0794
Echinococcus multilocularis eukaryotic initiation factor 4A 0.0635 0.739 1
Echinococcus multilocularis eukaryotic initiation factor 4A III 0.0635 0.739 1
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0635 0.739 1
Leishmania major calpain, putative,cysteine peptidase, Clan CA, family C2, putative 0.0061 0.0228 0.0308
Loa Loa (eye worm) cathepsin B 0.009 0.0587 0.0794
Echinococcus granulosus cathepsin b 0.0272 0.2855 0.3669
Onchocerca volvulus Eukaryotic initiation factor 4A homolog 0.0635 0.739 1
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0635 0.739 1
Brugia malayi calpain family protein 1 0.0161 0.1479 0.2002
Giardia lamblia Translation initiation factor eIF-4A, putative 0.0635 0.739 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.007 0.0095
Echinococcus granulosus eukaryotic initiation factor 4A 0.0635 0.739 1
Loa Loa (eye worm) hypothetical protein 0.0635 0.739 1
Loa Loa (eye worm) calpain family protein 1 0.0119 0.0949 0.1284
Loa Loa (eye worm) hypothetical protein 0.0143 0.1251 0.1693
Echinococcus granulosus calpain A 0.0175 0.1657 0.1995
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0061 0.0228 0.0308
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0635 0.739 1
Trypanosoma brucei calpain-like protein, putative 0.0061 0.0228 0.0308
Trypanosoma brucei antigen, putative 0.0061 0.0228 0.0308
Plasmodium falciparum eukaryotic initiation factor 4A 0.0635 0.739 0.5
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0061 0.0228 0.0308
Loa Loa (eye worm) hypothetical protein 0.0119 0.0949 0.1284
Trypanosoma cruzi calpain cysteine peptidase, putative 0.0061 0.0228 0.0308
Trypanosoma brucei cysteine peptidase C (CPC) 0.009 0.0587 0.0794
Echinococcus granulosus eukaryotic initiation factor 4A III 0.0635 0.739 1
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0272 0.2855 0.3864
Plasmodium vivax RNA helicase-1, putative 0.0635 0.739 1
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0061 0.0228 0.0308
Brugia malayi eukaryotic initiation factor 4A 0.0635 0.739 1
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0061 0.0228 0.0308
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) 0.0175 0.1651 0.1987
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0272 0.2855 0.2689
Brugia malayi calpain 7 0.0061 0.0228 0.0308
Echinococcus multilocularis calpain A 0.0175 0.1657 0.1995
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.009 0.0587 0.0794
Loa Loa (eye worm) calpain family protein 1 0.0161 0.1479 0.2002
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0061 0.0228 0.0308
Echinococcus granulosus cathepsin b 0.0272 0.2855 0.3669
Toxoplasma gondii eukaryotic initiation factor-4A, putative 0.0635 0.739 1
Trypanosoma brucei calpain-like protein, putative 0.0061 0.0228 0.0308
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0061 0.0228 0.0308
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0272 0.2855 0.2689
Brugia malayi calpain family protein 1 0.0161 0.1479 0.2002
Trypanosoma brucei Eukaryotic initiation factor 4A-1 0.0635 0.739 1
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0635 0.739 0.7329
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.009 0.0587 0.0368
Loa Loa (eye worm) hypothetical protein 0.01 0.0721 0.0976
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0635 0.739 1
Trypanosoma brucei calpain-like protein, putative 0.0061 0.0228 0.0308
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0061 0.0228 0.0308
Loa Loa (eye worm) hypothetical protein 0.0272 0.2855 0.3864
Entamoeba histolytica DEAD/DEAH box helicase, putative 0.0635 0.739 1
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0635 0.739 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative 0.0061 0.0228 0.0308
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0061 0.0228 0.0308
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0272 0.2855 0.2689
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0175 0.1651 0.1456
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0061 0.0228 0.0308
Echinococcus multilocularis calpain family protein 1, d 0.0119 0.0949 0.1007
Echinococcus granulosus family C2 unassigned peptidase C02 family 0.0175 0.1651 0.1987
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0061 0.0228 0.0308
Echinococcus multilocularis cathepsin b 0.0272 0.2855 0.3669
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.007 0.0095
Mycobacterium tuberculosis Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog) 0.0635 0.739 0.5
Treponema pallidum ATP-dependent RNA helicase 0.0635 0.739 0.5
Echinococcus multilocularis cathepsin b 0.0272 0.2855 0.3669
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.007 0.0095

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) = 0 % Inhibition of ovine COX1 at 100 uM ChEMBL. 17079150
Inhibition (binding) = 0 % Inhibition of ovine COX1 at 100 uM ChEMBL. 17079150
Inhibition (binding) = 5 % Inhibition of ovine COX2 at 100 uM ChEMBL. 17079150
Inhibition (binding) = 5 % Inhibition of ovine COX2 at 100 uM ChEMBL. 17079150

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

1 literature reference was collected for this gene.

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