Detailed information for compound 1234534

Basic information

Technical information
  • TDR Targets ID: 1234534
  • Name: 4-(furan-2-ylmethylamino)-1,1-dioxothiolan-3- ol
  • MW: 231.269 | Formula: C9H13NO4S
  • H donors: 2 H acceptors: 3 LogP: -1.01 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC1CS(=O)(=O)CC1NCc1ccco1
  • InChi: 1S/C9H13NO4S/c11-9-6-15(12,13)5-8(9)10-4-7-2-1-3-14-7/h1-3,8-11H,4-6H2
  • InChiKey: ORLZFELKWVMUAR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-(2-furylmethylamino)-1,1-dioxo-thiolan-3-ol
  • 4-(2-furylmethylamino)-1,1-dioxo-3-thiolanol
  • 4-(2-furylmethylamino)-1,1-diketo-thiolan-3-ol
  • 4-(furan-2-ylmethylamino)-1,1-dioxo-thiolan-3-ol
  • Oprea1_052469
  • BAS 01320223
  • Oprea1_204656
  • MLS000027816
  • TimTec1_001171
  • 4-[(Furan-2-ylmethyl)-amino]-1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-ol
  • SBB007364
  • SMR000010385

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
Brugia malayi intracellular kinase 0.0052 0.0125 0.0125
Brugia malayi Raf kinase 0.0202 0.0723 0.0723
Trichomonas vaginalis CMGC family protein kinase 0.0055 0.0137 1
Entamoeba histolytica protein kinase domain containing protein 0.0052 0.0125 0.5
Echinococcus multilocularis c Jun NH2 terminal kinase 0.0229 0.083 0.083
Onchocerca volvulus 0.0133 0.0449 1
Echinococcus multilocularis mitogen activated protein kinase 0.0055 0.0137 0.0137
Loa Loa (eye worm) TKL/RAF/RAF protein kinase 0.0119 0.039 0.0391
Schistosoma mansoni protein kinase 0.2523 1 1
Trypanosoma brucei protein kinase, putative 0.0055 0.0137 0.0373
Loa Loa (eye worm) hypothetical protein 0.0148 0.0507 0.0508
Schistosoma mansoni serine/threonine protein kinase 0.0031 0.004 0.004
Echinococcus multilocularis mitogen activated protein kinase 3 0.0055 0.0137 0.0137
Brugia malayi P38 map kinase family protein 2 0.0128 0.0426 0.0426
Loa Loa (eye worm) hypothetical protein 0.0133 0.0449 0.045
Echinococcus multilocularis glycogen synthase kinase 3 beta 0.0052 0.0125 0.0125
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0055 0.0137 0.0039
Echinococcus multilocularis protein kinase c epsilon type 0.0031 0.004 0.004
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0117 0.0384 0.0384
Schistosoma mansoni atypical protein kinase C 0.0031 0.004 0.004
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0765 0.2975 1
Plasmodium vivax glycogen synthase kinase 3, putative 0.0052 0.0125 0.5
Loa Loa (eye worm) CMGC/MAPK/JNK protein kinase 0.0229 0.083 0.0832
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0117 0.0384 0.0384
Echinococcus granulosus mitogen activated protein kinase 3 0.0055 0.0137 0.0137
Echinococcus multilocularis protein kinase shaggy 0.0052 0.0125 0.0125
Trichomonas vaginalis CMGC family protein kinase 0.0055 0.0137 1
Echinococcus granulosus protein kinase c iota type 0.0031 0.004 0.004
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0052 0.0125 0.0126
Echinococcus multilocularis mitogen activated protein kinase 11 0.0128 0.0426 0.0426
Echinococcus granulosus mitogen activated protein kinase 11 0.0128 0.0426 0.0426
Brugia malayi Stress-activated protein kinase jnk-1 0.0229 0.083 0.083
Schistosoma mansoni serine/threonine protein kinase 0.0229 0.083 0.083
Schistosoma mansoni serine/threonine protein kinase 0.0031 0.004 0.004
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 0.0128 0.0426 0.1055
Schistosoma mansoni serine/threonine protein kinase 0.0055 0.0137 0.0137
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0031 0.004 0.004
Leishmania major mitogen-activated protein kinase 3, putative,map kinase 3, putative 0.0128 0.0426 1
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0055 0.0137 0.0137
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.0052 0.0125 0.0125
Echinococcus granulosus glycogen synthase kinase 3 beta 0.0052 0.0125 0.0125
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0055 0.0137 0.0039
Schistosoma mansoni serine/threonine protein kinase 0.0031 0.004 0.004
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 0.0128 0.0426 0.1055
Trichomonas vaginalis CMGC family protein kinase 0.0055 0.0137 1
Loa Loa (eye worm) hypothetical protein 0.2516 0.9974 1
Plasmodium falciparum glycogen synthase kinase 3 0.0052 0.0125 0.5
Trypanosoma brucei mitogen-activated protein kinase 3, putative 0.0128 0.0426 1
Brugia malayi protein kinase C II. 0.0031 0.004 0.004
Echinococcus multilocularis mitogen activated protein kinase 11 0.0128 0.0426 0.0426
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0055 0.0137 0.0373
Echinococcus granulosus protein kinase shaggy 0.0052 0.0125 0.0125
Trichomonas vaginalis CMGC family protein kinase 0.0055 0.0137 1
Echinococcus multilocularis protein kinase c iota type 0.0031 0.004 0.004
Loa Loa (eye worm) hypothetical protein 0.0133 0.0449 0.045
Echinococcus multilocularis mitogen activated protein kinase 14 0.0128 0.0426 0.0426
Echinococcus granulosus mitogen activated protein kinase kinase kinase 0.2523 1 1
Schistosoma mansoni protein kinase 0.2523 1 1
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0055 0.0137 0.0373
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.2523 1 1
Loa Loa (eye worm) STE/STE11/ASK protein kinase 0.0765 0.2975 0.2983
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0055 0.0137 0.0039
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0052 0.0125 0.0126
Echinococcus multilocularis raf serine:threonine protein kinase 0.0217 0.0782 0.0782
Loa Loa (eye worm) hypothetical protein 0.0759 0.2949 0.2957
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0055 0.0137 1
Echinococcus granulosus mitogen activated protein kinase 14 0.0128 0.0426 0.0426
Echinococcus granulosus raf serine:threonine protein kinase 0.0217 0.0782 0.0782
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0765 0.2975 1
Loa Loa (eye worm) hypothetical protein 0.0133 0.0449 0.045
Schistosoma mansoni serine/threonine protein kinase 0.0217 0.0782 0.0782
Brugia malayi MAP kinase sur-1 0.0055 0.0137 0.0137
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0055 0.0137 0.0039
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0031 0.004 0.004
Echinococcus multilocularis mitogen activated protein kinase 14 0.0128 0.0426 0.0426
Giardia lamblia Kinase, CMGC MAPK 0.0055 0.0137 1
Entamoeba histolytica protein kinase domain containing protein 0.0052 0.0125 0.5
Echinococcus granulosus mitogen activated protein kinase 0.0055 0.0137 0.0137
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0117 0.0384 0.0385
Loa Loa (eye worm) hypothetical protein 0.015 0.0515 0.0516
Entamoeba histolytica protein kinase, putative 0.0052 0.0125 0.5
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0055 0.0137 0.0373
Echinococcus granulosus Protein kinase C brain isozyme 0.0031 0.004 0.004
Loa Loa (eye worm) CMGC/MAPK/P38 protein kinase 0.0128 0.0426 0.0427
Echinococcus granulosus c-Jun N-terminal kinases 0.0229 0.083 0.083
Echinococcus granulosus protein kinase c epsilon type 0.0031 0.004 0.004
Loa Loa (eye worm) raf kinase 0.0216 0.0777 0.0779

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference
Potency (functional) = 89.1251 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (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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