Detailed information for compound 1475356

Basic information

Technical information
  • TDR Targets ID: 1475356
  • Name: 4-(furan-2-carbonyl)-3-hydroxy-5-(3-hydroxyph enyl)-1-(6-methyl-1,3-benzothiazol-2-yl)-5H-p yrrol-2-one
  • MW: 432.449 | Formula: C23H16N2O5S
  • H donors: 2 H acceptors: 5 LogP: 4.75 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1cccc(c1)C1N(c2nc3c(s2)cc(cc3)C)C(=O)C(=C1C(=O)c1ccco1)O
  • InChi: 1S/C23H16N2O5S/c1-12-7-8-15-17(10-12)31-23(24-15)25-19(13-4-2-5-14(26)11-13)18(21(28)22(25)29)20(27)16-6-3-9-30-16/h2-11,19,26,28H,1H3
  • InChiKey: NWYVXXSFKHTDLG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-(2-furyl-oxomethyl)-3-hydroxy-5-(3-hydroxyphenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)-5H-pyrrol-2-one
  • 4-(furan-2-carbonyl)-3-hydroxy-5-(3-hydroxyphenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)-3-pyrrolin-2-one
  • 4-furan-2-ylcarbonyl-3-hydroxy-5-(3-hydroxyphenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)-5H-pyrrol-2-one
  • BAS 05887282

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
Schistosoma mansoni serine/threonine protein kinase 0.008 0.0019 0.0018
Leishmania major telomerase reverse transcriptase, putative 0.1473 0.2636 0.7115
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.1473 0.2636 0.713
Loa Loa (eye worm) hypothetical protein 0.0148 0.0147 0.0397
Plasmodium falciparum glycogen synthase kinase 3 0.2038 0.3698 1
Entamoeba histolytica protein kinase, putative 0.2038 0.3698 1
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0228 0.0298 0.0774
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0181 0.021 0.0536
Trichomonas vaginalis AGC family protein kinase 0.008 0.0019 0.0018
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0076 0.0013 0.0034
Entamoeba histolytica protein kinase, putative 0.008 0.0019 0.0018
Schistosoma mansoni protein kinase 0.008 0.0019 0.0018
Trichomonas vaginalis AGC family protein kinase 0.008 0.0019 0.0018
Trypanosoma brucei aurora B kinase 0.008 0.0019 0.0018
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0228 0.0298 0.0757
Trichomonas vaginalis CMGC family protein kinase 0.2038 0.3698 1
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0228 0.0298 0.0805
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0101 0.0059 0.0127
Loa Loa (eye worm) CMGC/GSK protein kinase 0.2038 0.3698 1
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.011 0.0076 0.0154
Entamoeba histolytica hypothetical protein 0.0181 0.021 0.0536
Plasmodium vivax telomerase reverse transcriptase, putative 0.1473 0.2636 0.7115
Giardia lamblia Kinase, CMGC GSK 0.2038 0.3698 1
Entamoeba histolytica serine/threonine protein kinase 6, putative 0.008 0.0019 0.0018
Giardia lamblia Telomerase catalytic subunit 0.1473 0.2636 0.7115
Echinococcus multilocularis protein kinase shaggy 0.2038 0.3698 1
Brugia malayi serine/threonine-protein kinase 6 0.008 0.0019 0.0009
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0228 0.0298 0.0774
Entamoeba histolytica protein kinase, putative 0.008 0.0019 0.0018
Giardia lamblia Kinase, CMGC GSK 0.2038 0.3698 1
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0228 0.0298 0.0774
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0228 0.0298 0.0774
Entamoeba histolytica protein kinase domain containing protein 0.2038 0.3698 1
Loa Loa (eye worm) AUR protein kinase 0.008 0.0019 0.0052
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0228 0.0298 0.0757
Entamoeba histolytica serine/threonine- protein kinase 6 , putative 0.008 0.0019 0.0018
Loa Loa (eye worm) hypothetical protein 0.008 0.002 0.0055
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0148 0.0147 0.0347
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0221 0.0285 0.0739
Entamoeba histolytica protein kinase domain containing protein 0.008 0.0019 0.0018
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 0.2038 0.3698 1
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0228 0.0298 0.0774
Entamoeba histolytica protein kinase , putative 0.008 0.0019 0.0018
Echinococcus granulosus glycogen synthase kinase 3 beta 0.2038 0.3698 1
Trypanosoma cruzi glycogen synthase kinase 3, putative 0.2038 0.3698 1
Trypanosoma brucei telomerase reverse transcriptase 0.1473 0.2636 0.712
Toxoplasma gondii cell-cycle-associated protein kinase GSK, putative 0.2038 0.3698 1
Brugia malayi Telomerase reverse transcriptase 0.392 0.7233 1
Loa Loa (eye worm) AUR protein kinase 0.008 0.0019 0.0052
Brugia malayi intracellular kinase 0.2038 0.3698 0.5104
Echinococcus multilocularis glycogen synthase kinase 3 beta 0.2038 0.3698 1
Plasmodium vivax glycogen synthase kinase 3, putative 0.2038 0.3698 1
Echinococcus granulosus protein kinase shaggy 0.2038 0.3698 1
Loa Loa (eye worm) CMGC/GSK protein kinase 0.2038 0.3698 1
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.2038 0.3698 1
Loa Loa (eye worm) AUR protein kinase 0.008 0.0019 0.0052
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0157 0.0164 0.041
Toxoplasma gondii RNA-directed DNA polymerase 0.1473 0.2636 0.7115
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0228 0.0298 0.0805
Loa Loa (eye worm) phosphatidylinositol 3 0.0181 0.021 0.0569
Trichomonas vaginalis AGC family protein kinase 0.008 0.0019 0.0018
Entamoeba histolytica protein kinase domain containing protein 0.2038 0.3698 1
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0157 0.0164 0.041
Entamoeba histolytica serine/threonine- protein kinase 6, putative 0.008 0.0019 0.0018
Brugia malayi serine/threonine kinase 12 0.008 0.0019 0.0009
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0148 0.0147 0.0347
Trypanosoma brucei protein kinase, putative 0.2038 0.3698 1
Trichomonas vaginalis AGC family protein kinase 0.008 0.0019 0.0018
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0148 0.0147 0.0186
Trypanosoma cruzi aurora B kinase, putative 0.008 0.0019 0.0052
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.1473 0.2636 0.713
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0228 0.0298 0.0395
Trichomonas vaginalis CMGC family protein kinase 0.2038 0.3698 1
Brugia malayi serine/threonine protein kinase 6 0.008 0.0019 0.0009
Plasmodium falciparum telomerase reverse transcriptase 0.1473 0.2636 0.7115

Activities

No activities found for this compound.

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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