Detailed information for compound 934998

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 311.401 | Formula: C17H17N3OS
  • H donors: 0 H acceptors: 2 LogP: 3.29 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cccc(c1)N(C(=O)c1ccc(s1)c1cnn(c1)C)C
  • InChi: 1S/C17H17N3OS/c1-12-5-4-6-14(9-12)20(3)17(21)16-8-7-15(22-16)13-10-18-19(2)11-13/h4-11H,1-3H3
  • InChiKey: MWGLZYQJVWWYDO-UHFFFAOYSA-N  

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
Loa Loa (eye worm) hypothetical protein 0.0064 0.1621 0.1621
Onchocerca volvulus Glycogen phosphorylase homolog 0.0123 0.4637 1
Echinococcus multilocularis glycogen phosphorylase 0.0123 0.4637 0.6524
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0064 0.1621 0.2051
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.0748 0.0748
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0748 0.0756
Brugia malayi Glycosyl hydrolases family 31 protein 0.0168 0.6981 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0748 0.0756
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0064 0.1621 0.2051
Entamoeba histolytica glycogen phosphorylase, putative 0.0053 0.1048 0.2261
Trichomonas vaginalis DNA helicase recq, putative 0.0156 0.6324 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0037 0.0238 0.0238
Loa Loa (eye worm) RecQ helicase 0.0156 0.6324 0.6324
Mycobacterium ulcerans glycogen phosphorylase GlgP 0.0053 0.1048 0.5
Schistosoma mansoni glycogen phosphorylase 0.0123 0.4637 0.803
Chlamydia trachomatis glycogen phosphorylase 0.0123 0.4637 0.5
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0064 0.1621 0.1621
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0064 0.1621 0.2051
Mycobacterium tuberculosis Probable glycogen phosphorylase GlgP 0.0053 0.1048 0.5
Trichomonas vaginalis DNA helicase recq, putative 0.0083 0.2594 0.3871
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0238 0.0917
Entamoeba histolytica glycogen phosphorylase, putative 0.0053 0.1048 0.2261
Echinococcus granulosus glycogen phosphorylase 0.0123 0.4637 0.6524
Entamoeba histolytica glycogen phosphorylase, putative 0.0123 0.4637 1
Echinococcus multilocularis bloom syndrome protein 0.0156 0.6324 0.9026
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0748 0.1295
Schistosoma mansoni alpha glucosidase 0.0037 0.0238 0.0412
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0064 0.1621 0.2051
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0064 0.1621 0.2051
Brugia malayi Bloom's syndrome protein homolog 0.0156 0.6324 0.9026
Giardia lamblia Glycogen phosphorylase 0.0123 0.4637 1
Schistosoma mansoni glycogen phosphorylase 0.0053 0.1048 0.1815
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0105 0.3731 0.5
Echinococcus multilocularis glycogen phosphorylase 0.0123 0.4637 0.6524
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.0748 0.0756
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0037 0.0238 0.0649
Echinococcus granulosus Glycosyl transferase family 35 0.0123 0.4637 0.6524
Schistosoma mansoni blooms syndrome DNA helicase 0.0123 0.4639 0.8034
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0748 0.1295
Trichomonas vaginalis glycogen phosphorylase, putative 0.0123 0.4637 0.7228
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0104 0.3666 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0168 0.6981 1
Schistosoma mansoni DNA helicase recq5 0.0064 0.1621 0.2807
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0083 0.2594 1
Echinococcus multilocularis Glycosyl transferase, family 35 0.0123 0.4637 0.6524
Echinococcus granulosus lysosomal alpha glucosidase 0.0168 0.6981 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0748 0.1295
Echinococcus granulosus glycogen phosphorylase 0.0123 0.4637 0.6524
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0748 0.0756
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0037 0.0238 0.0513
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0168 0.6981 0.6981
Brugia malayi carbohydrate phosphorylase 0.0123 0.4637 0.6524
Echinococcus multilocularis lysosomal alpha glucosidase 0.0168 0.6981 1
Entamoeba histolytica glycogen phosphorylase, putative 0.0123 0.4637 1
Schistosoma mansoni glycogen phosphorylase 0.0123 0.4637 0.803
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0064 0.1621 0.2051
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0748 0.0756
Echinococcus granulosus bloom syndrome protein 0.0156 0.6324 0.9026
Schistosoma mansoni DNA helicase recq1 0.0064 0.1621 0.2807
Loa Loa (eye worm) glycogen phosphorylase 0.0123 0.4637 0.4637
Trichomonas vaginalis glycogen phosphorylase, putative 0.0123 0.4637 0.7228
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0137 0.5352 1
Schistosoma mansoni alpha-glucosidase 0.0145 0.5774 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0037 0.0238 0.0513
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0064 0.1621 0.4422
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0083 0.2594 1
Entamoeba histolytica glycogenphosphorylase, putative 0.0053 0.1048 0.2261
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0238 0.0917
Entamoeba histolytica recQ family helicase, putative 0.0083 0.2594 0.5594
Treponema pallidum ATP-dependent DNA helicase 0.0033 0.0000000013634 0.5
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0083 0.2594 1
Schistosoma mansoni alpha-glucosidase 0.0145 0.5774 1
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0064 0.1621 0.4422
Trichomonas vaginalis DNA helicase recq1, putative 0.0156 0.6324 1

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) Displacement of [3H]E1 from human placental cytosolic17beta-HSD1 at 1 uM after 10 mins by cell-free assay ChEMBL. 25259513
Inhibition (binding) = 16 % Displacement of [3H]E2 from human placental microsomal 17beta-HSD2 at 1 uM after 20 mins by cell-free assay ChEMBL. 25259513

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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