Detailed information for compound 733385

Basic information

Technical information
  • TDR Targets ID: 733385
  • Name: 2-pyridin-2-ylethyl N-[3,5-bis(methylsulfanyl )-1,2-thiazol-4-yl]carbamate
  • MW: 341.472 | Formula: C13H15N3O2S3
  • H donors: 1 H acceptors: 3 LogP: 3.18 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CSc1snc(c1NC(=O)OCCc1ccccn1)SC
  • InChi: 1S/C13H15N3O2S3/c1-19-11-10(12(20-2)21-16-11)15-13(17)18-8-6-9-5-3-4-7-14-9/h3-5,7H,6,8H2,1-2H3,(H,15,17)
  • InChiKey: WJHLASSIPVZDID-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(2-pyridyl)ethyl N-[3,5-bis(methylsulfanyl)isothiazol-4-yl]carbamate
  • N-[3,5-bis(methylthio)-4-isothiazolyl]carbamic acid 2-(2-pyridyl)ethyl ester
  • N-[3,5-bis(methylthio)isothiazol-4-yl]carbamic acid 2-(2-pyridyl)ethyl ester
  • CBKinase1_013363
  • ZINC00051781
  • BIM-0036190.P001
  • ChemDiv2_005040
  • CBMicro_036169
  • IDI1_003755
  • CBKinase1_000963
  • Oprea1_346160
  • 2-(2-pyridinyl)ethyl [3,5-bis(methylthio)-4-isothiazolyl]carbamate
  • MLS000062080
  • SMR000070355
  • A1719/0073299

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens RecQ helicase-like Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium yoelii ATP-dependent DNA helicase-related Get druggable targets OG5_126644 All targets in OG5_126644
Candida albicans DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium falciparum ATP-dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Treponema pallidum ATP-dependent DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Babesia bovis ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Neospora caninum hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania infantum ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis ATP dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Neospora caninum hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Trichomonas vaginalis DNA helicase recq, putative Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) ATP-dependent DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi Bloom's syndrome protein homolog Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum ko:K03654 ATP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma brucei gambiense ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania braziliensis ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Plasmodium falciparum ADP-dependent DNA helicase RecQ Get druggable targets OG5_126644 All targets in OG5_126644
Trichomonas vaginalis DNA helicase recq, putative Get druggable targets OG5_126644 All targets in OG5_126644
Entamoeba histolytica recQ family helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Theileria parva hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Trichomonas vaginalis DNA helicase recq1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum Bloom syndrome protein homolog, putative Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) RecQ helicase Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis bloom syndrome protein Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus ATP dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Theileria parva DNA helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni blooms syndrome DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus bloom syndrome protein Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium knowlesi ATP-dependent DNA helicase Q1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Cryptosporidium parvum RecQ bloom helicase (RNA helicase+hrdc) Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium berghei ATP-dependent DNA helicase Q1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis ATP dependent DNA helicase Q5 Get druggable targets OG5_126644 All targets in OG5_126644
Entamoeba histolytica recQ family DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni DNA helicase recq5 Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania donovani ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni DNA helicase recq1 Get druggable targets OG5_126644 All targets in OG5_126644
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium yoelii ATP-dependent DNA helicase recQ-related Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus ATP dependent DNA helicase Q5 Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Babesia bovis ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Cryptosporidium hominis DEAD/DEAH box helicase Get druggable targets OG5_126644 All targets in OG5_126644
Candida albicans DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Giardia lamblia Sgs1 DNA helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania mexicana ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium berghei ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium knowlesi ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Giardia lamblia U5 small nuclear ribonucleoprotein 200 kDa helicase, putative RecQ helicase-like 649 aa 521 aa 19.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium leprae Probable lipase LipE 0.0043 0.0984 0.5
Leishmania major hypothetical protein, conserved 0.0043 0.0984 1
Schistosoma mansoni cellular tumor antigen P53 0.0049 0.1153 0.3029
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0024 0.0378 0.3751
Giardia lamblia Sgs1 DNA helicase, putative 0.0024 0.0378 0.5
Loa Loa (eye worm) hypothetical protein 0.0049 0.1153 1
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0024 0.0378 0.3843
Toxoplasma gondii ABC1 family protein 0.0043 0.0984 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0984 1
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0012 0.0014 0.0146
Echinococcus multilocularis thyroid hormone receptor alpha 0.0135 0.3808 0.3564
Loa Loa (eye worm) hypothetical protein 0.0043 0.0984 0.8511
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0125 0.3498 0.3242
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0984 1
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0984 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0984 0.5
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0024 0.0378 0.3843
Brugia malayi beta-lactamase family protein 0.0043 0.0984 1
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0012 0.0014 0.0146
Loa Loa (eye worm) beta-lactamase 0.0043 0.0984 0.8511
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0984 1
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0024 0.0378 0.3193
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0984 0.2584
Schistosoma mansoni thyroid hormone receptor 0.0135 0.3808 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0984 0.8511
Mycobacterium ulcerans lipase LipD 0.0043 0.0984 0.5
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0984 1
Loa Loa (eye worm) RecQ helicase 0.0024 0.0378 0.3193
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0984 1
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0024 0.0378 0.5
Treponema pallidum ATP-dependent DNA helicase 0.0012 0.0014 0.5
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0984 1
Onchocerca volvulus 0.0049 0.1153 1
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0984 1
Brugia malayi beta-lactamase 0.0043 0.0984 1
Schistosoma mansoni blooms syndrome DNA helicase 0.0012 0.0014 0.0038
Entamoeba histolytica recQ family helicase, putative 0.0024 0.0378 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0984 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0984 0.0629
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0984 0.0629
Schistosoma mansoni hypothetical protein 0.0125 0.3498 0.9186
Echinococcus multilocularis tumor protein p63 0.0334 1 1
Schistosoma mansoni thyroid hormone receptor 0.0135 0.3808 1
Schistosoma mansoni DNA helicase recq1 0.0024 0.0378 0.0993
Loa Loa (eye worm) hypothetical protein 0.0043 0.0984 0.8511
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.8245 1
Entamoeba histolytica recQ family DNA helicase 0.0012 0.0014 0.0381
Loa Loa (eye worm) hypothetical protein 0.0043 0.0984 0.8511
Mycobacterium ulcerans beta-lactamase 0.0043 0.0984 0.5
Loa Loa (eye worm) hypothetical protein 0.0024 0.0378 0.3193
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0125 0.3498 0.3242
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0984 0.2584
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0984 0.8511
Mycobacterium ulcerans hypothetical protein 0.0043 0.0984 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 0.0014 0.0000000026853
Loa Loa (eye worm) hypothetical protein 0.0043 0.0984 0.8511
Schistosoma mansoni DNA helicase recq5 0.0024 0.0378 0.0993
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.0024 0.0378 0.5
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0984 1
Brugia malayi beta-lactamase family protein 0.0043 0.0984 1
Trichomonas vaginalis esterase, putative 0.0043 0.0984 1
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0984 0.5
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0984 0.5
Loa Loa (eye worm) hypothetical protein 0.0043 0.0984 0.8511

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.1122 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1). (Class of assay: confirmatory) [Related pubchem assays: 594 (Rhodamine region spectral profiling screen), 593 (Fluorescein region spectral profiling screen), 2367 (Probe Development Summary for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1)), 2353 (qHTS Validation Assay for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1))] ChEMBL. No reference
Potency (functional) = 3.5481 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
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (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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