Detailed information for compound 1498732

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 206.716 | Formula: C6H7ClN2S2
  • H donors: 0 H acceptors: 0 LogP: 2.67 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1nss/c/1=N\C1CCC1
  • InChi: 1S/C6H7ClN2S2/c7-5-6(10-11-9-5)8-4-2-1-3-4/h4H,1-3H2/b8-6-
  • InChiKey: UPNAURHDTWFREQ-VURMDHGXSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens mannose phosphate isomerase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania donovani phosphomannose isomerase Get druggable targets OG5_127555 All targets in OG5_127555
Plasmodium knowlesi mannose-6-phosphate isomerase, putative Get druggable targets OG5_127555 All targets in OG5_127555
Leishmania infantum phosphomannose isomerase Get druggable targets OG5_127555 All targets in OG5_127555
Loa Loa (eye worm) mannose-6-phosphate isomerase Get druggable targets OG5_127555 All targets in OG5_127555
Trypanosoma congolense phosphomannose isomerase, putative Get druggable targets OG5_127555 All targets in OG5_127555
Theileria parva mannose-6-phosphate isomerase, putative Get druggable targets OG5_127555 All targets in OG5_127555
Plasmodium vivax mannose-6-phosphate isomerase, putative Get druggable targets OG5_127555 All targets in OG5_127555
Mycobacterium tuberculosis Probable mannose-6-phosphate isomerase ManA (phosphomannose isomerase) (phosphomannoisomerase) (PMI) (phosphohexoisomerase) (pho Get druggable targets OG5_127555 All targets in OG5_127555
Candida albicans mannose-6-phosphate isomerase capable of functionally substituting for S. cerevisiae PMI40 (YER003C) Get druggable targets OG5_127555 All targets in OG5_127555
Schistosoma mansoni mannose-6-phosphate isomerase Get druggable targets OG5_127555 All targets in OG5_127555
Trichomonas vaginalis mannose-6-phosphate isomerase, putative Get druggable targets OG5_127555 All targets in OG5_127555
Leishmania major phosphomannose isomerase Get druggable targets OG5_127555 All targets in OG5_127555
Plasmodium yoelii Phosphomannose isomerase type I, putative Get druggable targets OG5_127555 All targets in OG5_127555
Neospora caninum hypothetical protein Get druggable targets OG5_127555 All targets in OG5_127555
Toxoplasma gondii phosphomannose isomerase type I protein Get druggable targets OG5_127555 All targets in OG5_127555
Brugia malayi mannose-6-phosphate isomerase, class I family protein Get druggable targets OG5_127555 All targets in OG5_127555
Schistosoma japonicum ko:K01809 mannose-6-phosphate isomerase [EC5.3.1.8], putative Get druggable targets OG5_127555 All targets in OG5_127555
Trypanosoma cruzi phosphomannose isomerase, putative Get druggable targets OG5_127555 All targets in OG5_127555
Plasmodium berghei mannose-6-phosphate isomerase, putative Get druggable targets OG5_127555 All targets in OG5_127555
Cryptosporidium parvum mannose-6-phosphate isomerase Get druggable targets OG5_127555 All targets in OG5_127555
Trypanosoma brucei phosphomannose isomerase Get druggable targets OG5_127555 All targets in OG5_127555
Brugia malayi mannose-6-phosphate isomerase, class I family protein Get druggable targets OG5_127555 All targets in OG5_127555
Plasmodium falciparum mannose-6-phosphate isomerase, putative Get druggable targets OG5_127555 All targets in OG5_127555
Candida albicans mannose-6-phosphate isomerase capable of functionally substituting for S. cerevisiae PMI40 (YER003C) Get druggable targets OG5_127555 All targets in OG5_127555
Mycobacterium leprae probable mannose-6-phosphate isomerase ManA (PHOSPHOMANNOSE ISOMERASE) (PHOSPHOMANNOISOMERASE) (PMI) (PHOSPHOHEXOISOMERASE) (PHO Get druggable targets OG5_127555 All targets in OG5_127555
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_127555 All targets in OG5_127555
Echinococcus granulosus mannose 6 phosphate isomerase Get druggable targets OG5_127555 All targets in OG5_127555
Babesia bovis phosphomannose isomerase type I family protein Get druggable targets OG5_127555 All targets in OG5_127555
Entamoeba histolytica phosphomannose isomerase, putative Get druggable targets OG5_127555 All targets in OG5_127555
Mycobacterium ulcerans mannose-6-phosphate isomerase ManA Get druggable targets OG5_127555 All targets in OG5_127555
Loa Loa (eye worm) mannose-6-phosphate isomerase Get druggable targets OG5_127555 All targets in OG5_127555
Leishmania mexicana phosphomannose isomerase, putative Get druggable targets OG5_127555 All targets in OG5_127555
Echinococcus multilocularis mannose 6 phosphate isomerase Get druggable targets OG5_127555 All targets in OG5_127555
Trypanosoma brucei gambiense phosphomannose isomerase, putative Get druggable targets OG5_127555 All targets in OG5_127555
Trypanosoma cruzi phosphomannose isomerase, putative Get druggable targets OG5_127555 All targets in OG5_127555
Leishmania braziliensis phosphomannose isomerase Get druggable targets OG5_127555 All targets in OG5_127555

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
Toxoplasma gondii phosphomannose isomerase type I protein 0.0117 1 1
Mycobacterium leprae probable mannose-6-phosphate isomerase ManA (PHOSPHOMANNOSE ISOMERASE) (PHOSPHOMANNOISOMERASE) (PMI) (PHOSPHOHEXOISOMERASE) (PHO 0.0064 0.3554 1
Schistosoma mansoni mannose-6-phosphate isomerase 0.0117 1 1
Entamoeba histolytica phosphomannose isomerase, putative 0.0117 1 1
Plasmodium falciparum mannose-6-phosphate isomerase, putative 0.0117 1 1
Treponema pallidum 1-deoxy-D-xylulose-5-phosphate synthase 0.0035 0.0127 0.5
Plasmodium vivax pyruvate dehydrogenase E1 component subunit beta, putative 0.0046 0.1446 0.1336
Loa Loa (eye worm) mannose-6-phosphate isomerase 0.0117 1 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.1446 0.1336
Echinococcus granulosus mannose 6 phosphate isomerase 0.0117 1 1
Trypanosoma brucei phosphomannose isomerase 0.0117 1 1
Schistosoma mansoni pyruvate dehydrogenase (lipoamide) 0.0046 0.1446 0.1336
Mycobacterium ulcerans mannose-6-phosphate isomerase ManA 0.0117 1 1
Onchocerca volvulus 0.0034 0 0.5
Chlamydia trachomatis oxoisovalerate dehydrogenase subunits alpha/beta 0.0039 0.0638 0.3875
Loa Loa (eye worm) mannose-6-phosphate isomerase 0.0117 1 1
Echinococcus multilocularis pyruvate dehydrogenase 0.0046 0.1446 0.1336
Mycobacterium tuberculosis Probable mannose-6-phosphate isomerase ManA (phosphomannose isomerase) (phosphomannoisomerase) (PMI) (phosphohexoisomerase) (pho 0.0064 0.3554 1
Entamoeba histolytica mannose-6-phosphate isomerase, putative 0.0054 0.2368 0.227
Plasmodium vivax mannose-6-phosphate isomerase, putative 0.0117 1 1
Wolbachia endosymbiont of Brugia malayi pyruvate dehydrogenase subunit beta 0.0046 0.1446 1
Echinococcus multilocularis mannose 6 phosphate isomerase 0.0117 1 1
Brugia malayi pyruvate dehydrogenase E1 component beta subunit, mitochondrial 0.0046 0.1446 0.1336
Trypanosoma cruzi phosphomannose isomerase, putative 0.0117 1 1
Leishmania major phosphomannose isomerase 0.0117 1 1
Plasmodium falciparum pyruvate dehydrogenase E1 component subunit beta 0.0046 0.1446 0.1336
Leishmania major pyruvate dehydrogenase E1 beta subunit, putative 0.0046 0.1446 0.1336
Echinococcus granulosus pyruvate dehydrogenase 0.0046 0.1446 0.1336
Brugia malayi pyruvate dehydrogenase E1 component beta subunit, putative 0.0046 0.1446 0.1336
Trypanosoma cruzi pyruvate dehydrogenase E1 beta subunit, putative 0.0046 0.1446 0.1336
Brugia malayi mannose-6-phosphate isomerase, class I family protein 0.0117 1 1
Trichomonas vaginalis mannose-6-phosphate isomerase, putative 0.0117 1 1
Trypanosoma brucei pyruvate dehydrogenase E1 beta subunit, putative 0.0046 0.1446 0.1336
Loa Loa (eye worm) hypothetical protein 0.0046 0.1446 0.1336
Trypanosoma cruzi phosphomannose isomerase, putative 0.0117 1 1
Trypanosoma cruzi pyruvate dehydrogenase E1 beta subunit, putative 0.0046 0.1446 0.1336
Toxoplasma gondii pyruvate dehydrogenase complex subunit PD-HE1Beta 0.0046 0.1446 0.1336
Chlamydia trachomatis pyruvate dehydrogenase subunit beta 0.0046 0.1446 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 15.6 uM PUBCHEM_BIOASSAY: Confirmation of compounds inhibiting phosphomannose isomerase (PMI) via a fluorescence intensity assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1209, AID1220, AID1545, AID1553, AID1574, AID1620] ChEMBL. No reference
IC50 (binding) = 76.3 uM PUBCHEM_BIOASSAY: Counter screen SAR assay for PMM2 inhibitors via a fluorescence intensity assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1545, AID1574] 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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