Detailed information for compound 1354990

Basic information

Technical information
  • TDR Targets ID: 1354990
  • Name: T5331751
  • MW: 364.502 | Formula: C19H28N2O3S
  • H donors: 2 H acceptors: 2 LogP: 3.28 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCCNC(=O)CSc1ccccc1C(=O)NCC1CCCCC1
  • InChi: 1S/C19H28N2O3S/c1-24-12-11-20-18(22)14-25-17-10-6-5-9-16(17)19(23)21-13-15-7-3-2-4-8-15/h5-6,9-10,15H,2-4,7-8,11-14H2,1H3,(H,20,22)(H,21,23)
  • InChiKey: JSENGWUPHROPFO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • MLS001061281
  • SMR000384935

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Plasmodium falciparum proteasome subunit beta type-2, putative 0.0073 0.0603 0.0603
Brugia malayi proteasome subunit beta type 2 0.0073 0.0603 0.0528
Schistosoma mansoni adhesion regulating molecule 1 (110 kD cell membrane glycoprotein) 0.0087 0.0892 0.0819
Schistosoma mansoni proteasome subunit beta 2 (T01 family) 0.0073 0.0603 0.0528
Echinococcus granulosus proteasome prosome macropain subunit beta 0.0099 0.1146 0.1075
Leishmania major proteasome alpha 7 subunit, putative 0.0049 0.008 0.008
Schistosoma mansoni proteasome subunit beta 2 (T01 family) 0.0073 0.0603 0.0528
Plasmodium falciparum proteasome subunit beta type-7, putative 0.0049 0.008 0.008
Plasmodium vivax proteasome subunit beta type-5, putative 0.0512 1 1
Plasmodium falciparum proteasome subunit alpha type-1, putative 0.0049 0.008 0.008
Leishmania major proteasome alpha 3 subunit, putative 0.0049 0.008 0.008
Leishmania major proteasome alpha 1 subunit, putative 0.0049 0.008 0.008
Plasmodium falciparum proteasome subunit beta type-4 0.0049 0.008 0.008
Plasmodium falciparum proteasome subunit beta type-5 0.0512 1 1
Leishmania major proteasome beta 6 subunit, putative,20S proteasome beta 6 subunit, putative 0.0099 0.1146 0.1146
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0214 0.0136
Trypanosoma cruzi proteasome beta 6 subunit, putative 0.0099 0.1146 0.1075
Giardia lamblia Proteasome subunit beta type 5 precursor 0.0512 1 1
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.0512 1 1
Mycobacterium leprae proteasome (beta subunit) PrcB 0.0512 1 1
Echinococcus multilocularis proteasome (prosome, macropain) subunit, beta 0.0073 0.0603 0.0528
Loa Loa (eye worm) proteasome subunit beta type 1 0.0099 0.1146 0.1075
Plasmodium falciparum proteasome subunit beta type-1, putative 0.0099 0.1146 0.1146
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0214 0.0136
Echinococcus granulosus adhesion regulating molecule 1 0.0087 0.0892 0.0819
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0214 0.0136
Giardia lamblia Proteasome subunit beta type 1 0.0099 0.1146 0.1075
Toxoplasma gondii proteasome subunit beta type, putative 0.0512 1 1
Plasmodium falciparum ATP-dependent protease subunit ClpQ 0.0049 0.008 0.008
Leishmania major hs1vu complex proteolytic subunit-like,hs1vu complex proteolytic subunit-like, threonine peptidase, Clan T(1), family T1B 0.0049 0.008 0.008
Leishmania major proteasome alpha 7 subunit, putative 0.0049 0.008 0.008
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0214 0.0136
Leishmania major proteasome beta 7 subunit, putative 0.0049 0.008 0.008
Plasmodium falciparum proteasome subunit alpha type-3, putative 0.0049 0.008 0.008
Plasmodium falciparum proteasome subunit alpha type-4, putative 0.0049 0.008 0.008
Toxoplasma gondii proteasome subunit beta type 2, putative 0.0073 0.0603 0.0528
Loa Loa (eye worm) hypothetical protein 0.0087 0.0892 0.0819
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0214 0.0136
Leishmania major proteasome beta 5 subunit, putative 0.0512 1 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0214 0.0136
Mycobacterium ulcerans proteasome PrcB 0.0512 1 1
Entamoeba histolytica proteasome subunit beta type 5 precursor, putative 0.0512 1 1
Trypanosoma brucei proteasome beta 6 subunit 0.0099 0.1146 0.1075
Leishmania major 20s proteasome beta 7 subunit, (putative) 0.0049 0.008 0.008
Trypanosoma cruzi proteasome subunit beta type-2, putative 0.0073 0.0603 0.0528
Leishmania major proteasome alpha 5 subunit, putative,20S proteasome subunit alpha 5, (putative) 0.0049 0.008 0.008
Leishmania major 20s proteasome beta 7 subunit, (putative) 0.0049 0.008 0.008
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0073 0.0603 0.0528
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0512 1 1
Echinococcus granulosus proteasome prosome macropain 0.0512 1 1
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0073 0.0603 0.0528
Plasmodium falciparum proteasome subunit alpha type-5, putative 0.0049 0.008 0.008
Plasmodium vivax proteasome subunit beta type-2, putative 0.0073 0.0603 0.0528
Mycobacterium tuberculosis Proteasome beta subunit PrcB; assembles with alpha subunit PrcA. 0.0512 1 1
Toxoplasma gondii adhesion regulating molecule region protein, putative 0.0087 0.0892 0.0819
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0214 0.0136
Entamoeba histolytica probable proteasome subunit beta type 2, putative 0.0073 0.0603 0.0528
Leishmania major 20s proteasome beta 7 subunit, (putative) 0.0049 0.008 0.008
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0512 1 1
Plasmodium falciparum proteasome subunit alpha type-2, putative 0.0049 0.008 0.008
Plasmodium falciparum proteasome subunit beta type-6, putative 0.0049 0.008 0.008
Toxoplasma gondii proteasome subunit beta type 1, putative 0.0099 0.1146 0.1075
Echinococcus multilocularis adhesion regulating molecule 1 0.0087 0.0892 0.0819
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0214 0.0136
Trypanosoma cruzi 20S proteasome subunit 0.0073 0.0603 0.0528
Loa Loa (eye worm) proteasome subunit beta type 2 0.0073 0.0603 0.0528
Leishmania major proteasome beta 2 subunit, putative 0.0073 0.0603 0.0603
Plasmodium vivax proteasome subunit beta type-1, putative 0.0099 0.1146 0.1075
Leishmania major 20s proteasome beta 7 subunit, (putative) 0.0049 0.008 0.008
Echinococcus multilocularis proteasome (prosome, macropain) subunit, beta 0.0099 0.1146 0.1075
Trypanosoma cruzi proteasome beta 6 subunit, putative 0.0099 0.1146 0.1075
Leishmania major proteasome alpha 2 subunit, putative 0.0049 0.008 0.008
Leishmania major proteasome alpha 1 subunit, putative 0.0049 0.008 0.008
Leishmania major proteasome beta 2 subunit, putative 0.0049 0.008 0.008
Trypanosoma brucei proteasome subunit beta type-2, putative 0.0073 0.0603 0.0528
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0099 0.1146 0.1075
Plasmodium falciparum proteasome subunit alpha type-6, putative 0.0049 0.008 0.008
Wolbachia endosymbiont of Brugia malayi ATP-dependent protease peptidase subunit 0.0049 0.008 0.5
Leishmania major 20s proteasome beta 7 subunit, (putative) 0.0049 0.008 0.008
Trypanosoma brucei proteasome subunit beta type-5, putative 0.0512 1 1
Leishmania major proteasome beta-1 subunit, putative 0.0049 0.008 0.008
Plasmodium falciparum proteasome subunit beta type-3, putative 0.0049 0.008 0.008
Brugia malayi proteasome subunit beta type 1 0.0099 0.1146 0.1075
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0214 0.0136
Plasmodium falciparum proteasome subunit alpha type-7, putative 0.0049 0.008 0.008
Echinococcus granulosus proteasome prosome macropain subunit beta 0.0073 0.0603 0.0528
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0512 1 1
Echinococcus multilocularis proteasome (prosome, macropain) 0.0512 1 1
Entamoeba histolytica proteasome subunit beta type 1, putative 0.0099 0.1146 0.1075
Brugia malayi Adhesion regulating molecule conserved region family protein 0.0087 0.0892 0.0819
Leishmania major 20s proteasome beta 7 subunit, (putative) 0.0049 0.008 0.008
Onchocerca volvulus Proteasomal ubiquitin receptor ADRM1 homolog 0.0055 0.0212 1
Leishmania major proteasome beta 3 subunit, putative 0.0049 0.008 0.008
Schistosoma mansoni proteasome catalytic subunit 3 (T01 family) 0.0512 1 1
Schistosoma mansoni proteasome subunit beta 1 (T01 family) 0.0099 0.1146 0.1075
Giardia lamblia Proteasome subunit beta type 2 0.0073 0.0603 0.0528

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.8913 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
Potency (functional) = 56.2341 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] 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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