Detailed information for compound 833864

Basic information

Technical information
  • TDR Targets ID: 833864
  • Name: 3-hydroxy-3-(4-methoxyphenyl)-5-oxo-7-(4-prop an-2-yloxyphenyl)-6,7-dihydro-2H-[1,3]thiazol o[3,2-a]pyridine-8-carbonitrile
  • MW: 436.523 | Formula: C24H24N2O4S
  • H donors: 1 H acceptors: 3 LogP: 3.01 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#CC1=C2SCC(N2C(=O)CC1c1ccc(cc1)OC(C)C)(O)c1ccc(cc1)OC
  • InChi: 1S/C24H24N2O4S/c1-15(2)30-19-8-4-16(5-9-19)20-12-22(27)26-23(21(20)13-25)31-14-24(26,28)17-6-10-18(29-3)11-7-17/h4-11,15,20,28H,12,14H2,1-3H3
  • InChiKey: RCUULEUHCSTVDK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-hydroxy-7-(4-isopropoxyphenyl)-3-(4-methoxyphenyl)-5-oxo-6,7-dihydro-2H-thiazolo[3,2-a]pyridine-8-carbonitrile
  • 3-hydroxy-7-(4-isopropoxyphenyl)-5-keto-3-(4-methoxyphenyl)-6,7-dihydro-2H-thiazolo[3,2-a]pyridine-8-carbonitrile

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 phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0077 0.0128 0.0118
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0026 0.0014 0.049
Loa Loa (eye worm) hypothetical protein 0.1147 0.2518 1
Brugia malayi Sodium:solute symporter family protein 0.1147 0.2518 1
Echinococcus multilocularis sodium coupled monocarboxylate transporter 1 0.1147 0.2518 0.2511
Echinococcus multilocularis sodium:nucleoside cotransporter 2 0.0477 0.1021 0.1011
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0055 0.0079 1
Schistosoma mansoni inositol transporter 0.4494 1 1
Echinococcus granulosus sodium:glucose cotransporter 2 0.4494 1 1
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0053 0.0073 0.5625
Echinococcus multilocularis solute carrier family 5 0.4494 1 1
Giardia lamblia Histone acetyltransferase GCN5 0.0045 0.0056 1
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0055 0.0079 0.0069
Plasmodium falciparum histone acetyltransferase GCN5 0.0045 0.0056 1
Schistosoma mansoni hypothetical protein 0.0357 0.0752 0.0743
Schistosoma mansoni importin beta-1 0.0033 0.003 0.002
Echinococcus granulosus sodium:myo inositol cotransporter 0.4494 1 1
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0029 0.0019 0.4586
Echinococcus multilocularis geminin 0.0196 0.0394 0.0384
Echinococcus granulosus solute carrier family 28 0.0731 0.1589 0.158
Entamoeba histolytica hypothetical protein 0.0038 0.004 0.2655
Echinococcus granulosus histone acetyltransferase KAT2B 0.0163 0.032 0.031
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0025 0.001 0.181
Echinococcus granulosus geminin 0.0196 0.0394 0.0384
Echinococcus granulosus solute carrier family 5 0.4494 1 1
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0029 0.0019 0.1311
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0104 0.0188 0.0708
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0029 0.0019 0.1311
Entamoeba histolytica hypothetical protein 0.0027 0.0016 0.0497
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0049 0.0066 0.0221
Schistosoma mansoni hypothetical protein 0.0196 0.0394 0.0384
Echinococcus multilocularis concentrative Na+ nucleoside cotransporter 0.0731 0.1589 0.158
Schistosoma mansoni sodium/solute symporter 0.1147 0.2518 0.2511
Echinococcus granulosus high affinity choline transporter 1 0.1147 0.2518 0.2511
Trypanosoma brucei importin beta-1 subunit, putative 0.0033 0.003 1
Brugia malayi Cytochrome P450 family protein 0.0026 0.0014 0.0014
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0029 0.0019 0.1311
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0029 0.0019 0.0803
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0038 0.004 0.2655
Echinococcus multilocularis high affinity choline transporter 1 0.1147 0.2518 0.2511
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0168 0.0331 0.0321
Plasmodium falciparum importin beta, putative 0.0033 0.003 0.4265
Brugia malayi RNA, U transporter 1 0.0095 0.0168 0.0627
Echinococcus multilocularis snurportin 1 0.0357 0.0752 0.0743
Echinococcus multilocularis importin subunit beta 1 0.0033 0.003 0.002
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0055 0.0079 0.0275
Entamoeba histolytica acetyltransferase, GNAT family 0.0045 0.0056 0.4108
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0102 0.0183 0.0173
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0075 0.0123 1
Brugia malayi GH02984p 0.1147 0.2518 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0027 0.0016 0.0811
Echinococcus granulosus concentrative Na nucleoside cotransporter 0.0731 0.1589 0.158
Leishmania major importin beta-1 subunit, putative 0.0027 0.0016 1
Schistosoma mansoni inositol transporter 0.4494 1 1
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0029 0.0019 0.1311
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0055 0.0079 1
Schistosoma mansoni high-affinity choline transporter 0.1147 0.2518 0.2511
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0049 0.0066 0.8037
Echinococcus granulosus histone acetyltransferase KAT2B 0.0049 0.0066 0.0055
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0055 0.0079 1
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0055 0.0079 1
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0168 0.0331 0.0321
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0029 0.0019 0.1311
Echinococcus multilocularis sodium:myo inositol cotransporter 0.4494 1 1
Trypanosoma brucei importin beta-1 subunit, putative 0.0033 0.003 1
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0055 0.0079 0.0069
Brugia malayi acetyltransferase, GNAT family protein 0.0168 0.0331 0.1277
Echinococcus multilocularis sodium:glucose cotransporter 2 0.4494 1 1
Loa Loa (eye worm) acetyltransferase 0.0168 0.0331 0.1277
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0055 0.0079 0.6128
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0049 0.0066 1
Echinococcus granulosus importin subunit beta 1 0.0033 0.003 0.002
Echinococcus multilocularis solute carrier family 28 0.0731 0.1589 0.158
Toxoplasma gondii HEAT repeat-containing protein 0.0033 0.003 0.0079
Echinococcus granulosus microtubule associated protein 2 0.0799 0.1742 0.1734
Schistosoma mansoni microtubule-associated protein tau 0.0799 0.1742 0.1734
Mycobacterium ulcerans epoxide hydrolase EphA 0.0165 0.0323 0.5
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0049 0.0066 0.0221
Echinococcus multilocularis microtubule associated protein 2 0.0799 0.1742 0.1734
Trichomonas vaginalis bromodomain-containing protein, putative 0.0049 0.0066 0.8037
Toxoplasma gondii transporter, solute:sodium symporter (SSS) family protein 0.1147 0.2518 1
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0102 0.0183 0.0173
Loa Loa (eye worm) phosphatidylinositol 3 0.0026 0.0014 0.0013
Loa Loa (eye worm) hypothetical protein 0.0102 0.0183 0.0687
Echinococcus granulosus sodium coupled monocarboxylate transporter 1 0.1147 0.2518 0.2511
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0038 0.004 0.2655
Mycobacterium tuberculosis Probable epoxide hydrolase EphA (epoxide hydratase) (arene-oxide hydratase) 0.0165 0.0323 0.5
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0027 0.0016 0.0811
Loa Loa (eye worm) phosphatidylinositol 3 0.0038 0.004 0.0119
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0055 0.0079 0.0069
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0357 0.0752 0.2959
Loa Loa (eye worm) hypothetical protein 0.0033 0.003 0.0079
Loa Loa (eye worm) cytochrome P450 family protein 0.0026 0.0014 0.0014
Brugia malayi Importin beta-1 subunit 0.0033 0.003 0.0079
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0029 0.0019 0.1311
Loa Loa (eye worm) hypothetical protein 0.1147 0.2518 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0029 0.0019 0.0036
Schistosoma mansoni hypothetical protein 0.0196 0.0394 0.0384
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0055 0.0079 1
Loa Loa (eye worm) phosphatidylinositol 3-kinase catalytic subunit gamma 0.0049 0.0064 0.0214
Plasmodium vivax importin-beta 2, putative 0.0033 0.003 0.3557
Echinococcus granulosus snurportin 1 0.0357 0.0752 0.0743
Trichomonas vaginalis importin beta-1, putative 0.0027 0.0016 0.0811
Onchocerca volvulus 0.1147 0.2518 0.5
Echinococcus granulosus Na+ dependent nucleoside transporter 0.0731 0.1589 0.158
Trypanosoma cruzi importin beta-1 subunit, putative 0.0027 0.0016 0.0811

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.
 
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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