Detailed information for compound 1157599

Basic information

Technical information
  • TDR Targets ID: 1157599
  • Name: (2Z,5E)-2-[(3-ethyl-1,3-benzothiazol-3-ium-2- yl)methylidene]-3-phenyl-5-[(E)-3-(phenylamin o)prop-2-enylidene]-1,3-thiazolidin-4-one
  • MW: 482.64 | Formula: C28H24N3OS2+
  • H donors: 1 H acceptors: 1 LogP: 7.18 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC[n+]1c(sc2c1cccc2)/C=c/1\s/c(=C\C=C\Nc2ccccc2)/c(=O)n1c1ccccc1
  • InChi: 1S/C28H23N3OS2/c1-2-30-23-16-9-10-17-24(23)33-26(30)20-27-31(22-14-7-4-8-15-22)28(32)25(34-27)18-11-19-29-21-12-5-3-6-13-21/h3-20H,2H2,1H3/p+1
  • InChiKey: BLVACDYBMUJEBC-UHFFFAOYSA-O  


Substructure search Similarity search

Network

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Synonyms

  • (2Z,5E)-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylene]-3-phenyl-5-[(E)-3-(phenylamino)prop-2-enylidene]thiazolidin-4-one
  • (2Z,5E)-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylene]-3-phenyl-5-[(E)-3-(phenylamino)prop-2-enylidene]-4-thiazolidinone

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
Mycobacterium ulcerans cytochrome P450 144A4 Cyp144A4 0.0052 0.0571 0.0363
Brugia malayi hypoxia-induced factor 1 0.0175 0.4854 0.6234
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0236 0.6986 0.7301
Brugia malayi bHLH-PAS transcription factor 0.0042 0.0216 0.0277
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.0052 0.0571 0.0363
Echinococcus multilocularis SAM and MBT domain containing protein 0.005 0.0515 0.0736
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0236 0.6986 1
Schistosoma mansoni aryl hydrocarbon receptor 0.0057 0.0727 0.076
Trypanosoma cruzi cytochrome P450, putative 0.009 0.1894 0.2062
Mycobacterium ulcerans cytochrome P450 191A3 Cyp191A3 0.0052 0.0571 0.0363
Brugia malayi mbt repeat family protein 0.005 0.0515 0.0661
Loa Loa (eye worm) hypothetical protein 0.019 0.5366 0.6858
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0479 0.0615
Brugia malayi mbt repeat family protein 0.005 0.0515 0.0661
Mycobacterium leprae putative cytochrome p450 0.0052 0.0571 0.5
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0236 0.6986 0.7422
Echinococcus multilocularis polycomb protein SCMH1 0.005 0.0515 0.0736
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0071 0.1216 0.0684
Echinococcus granulosus histone acetyltransferase MYST2 0.0057 0.0758 0.1085
Echinococcus granulosus polycomb protein SCMH1 0.005 0.0515 0.0736
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0071 0.1216 0.1741
Loa Loa (eye worm) hypothetical protein 0.0236 0.6986 0.8961
Mycobacterium ulcerans cytochrome P450 143A3 Cyp143A3 0.0052 0.0571 0.0363
Mycobacterium ulcerans cytochrome P450 136A2 Cyp136A2 0.0052 0.0571 0.0363
Mycobacterium ulcerans cytochrome P450 123A3 Cyp123A3 0.0052 0.0571 0.0363
Schistosoma mansoni cytochrome P450 0.0052 0.0571 0.0597
Echinococcus granulosus single minded 2 0.0042 0.0216 0.0309
Echinococcus multilocularis ubiquitin specific protease 41 0.0236 0.6986 1
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0236 0.6986 0.7301
Mycobacterium ulcerans cytochrome P450 189A7 Cyp189A7 0.0052 0.0571 0.0363
Echinococcus granulosus SAM and MBT domain containing protein 0.005 0.0515 0.0736
Trypanosoma brucei 3', 5'-cyclic nucleotide phosphodiesterase, putative 0.0221 0.6446 0.9158
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0236 0.6986 1
Mycobacterium ulcerans cytochrome p450 150 cyp150 0.0052 0.0571 0.0363
Trichomonas vaginalis conserved hypothetical protein 0.0236 0.6986 0.7422
Leishmania major cytochrome p450-like protein 0.009 0.1894 0.2062
Onchocerca volvulus 0.005 0.0515 0.0669
Loa Loa (eye worm) hypothetical protein 0.0057 0.0758 0.0878
Loa Loa (eye worm) cytochrome P450 family protein 0.009 0.1894 0.2353
Mycobacterium ulcerans cytochrome P450 108B4 Cyp108B4 0.0052 0.0571 0.0363
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0057 0.0758 0.1085
Schistosoma mansoni myelin transcription factor 1 myt1 0.0057 0.0758 0.0792
Brugia malayi hypothetical protein 0.019 0.5366 0.6891
Mycobacterium ulcerans cytochrome P450 105Q4 Cyp105Q4 0.0052 0.0571 0.0363
Mycobacterium ulcerans cytochrome P450 143A4 Cyp143A4 0.0052 0.0571 0.0363
Mycobacterium ulcerans cytochrome P450 124A1, Cyp124A1 0.0052 0.0571 0.0363
Mycobacterium ulcerans cytochrome P450 188A3 Cyp188A3 0.0052 0.0571 0.0363
Trichomonas vaginalis glucosylceramidase, putative 0.0179 0.5001 0.1027
Loa Loa (eye worm) MBCTL1 0.0057 0.0758 0.0878
Trypanosoma brucei cytochrome P450, putative 0.009 0.1894 0.2062
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0057 0.0758 0.1085
Trypanosoma cruzi cytochrome P450, putative 0.009 0.1894 0.2062
Mycobacterium ulcerans cytochrome P450 125A7 Cyp125A7 0.0052 0.0571 0.0363
Mycobacterium ulcerans cytochrome P450 142A3 Cyp142A3 0.0052 0.0571 0.0363
Leishmania major hypothetical protein, conserved 0.0221 0.6446 0.9158
Loa Loa (eye worm) cytochrome P450 family protein 0.009 0.1894 0.2353
Trichomonas vaginalis glucosylceramidase, putative 0.0259 0.7787 1
Echinococcus granulosus cytochrome P450 2K1 0.0052 0.0571 0.0817
Loa Loa (eye worm) cytochrome P450 0.0052 0.0571 0.0636
Echinococcus granulosus ubiquitin specific protease 41 0.0236 0.6986 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0071 0.1216 0.1023
Schistosoma mansoni aldehyde dehydrogenase 0.0071 0.1216 0.1271
Schistosoma mansoni aldehyde dehydrogenase 0.0071 0.1216 0.1271
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0059 0.0813 0.1164
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0479 0.0615
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0259 0.7787 1
Echinococcus multilocularis transfer RNA-Lys 0.0042 0.0216 0.0309
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0236 0.6986 0.5
Loa Loa (eye worm) hypoxia-induced factor 1 0.0175 0.4854 0.6194
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0236 0.6986 1
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0059 0.0813 0.1164
Trichomonas vaginalis glucosylceramidase, putative 0.0179 0.5001 0.1027
Mycobacterium ulcerans epoxide hydrolase EphA 0.0323 1 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0071 0.1216 0.1023
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0236 0.6986 1
Brugia malayi Cytochrome P450 family protein 0.009 0.1894 0.2432
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0236 0.6986 1
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.009 0.1894 0.1715
Schistosoma mansoni lipoxygenase 0.0059 0.0813 0.085
Toxoplasma gondii aldehyde dehydrogenase 0.0071 0.1216 1
Brugia malayi PAS domain containing protein 0.0057 0.0727 0.0934
Schistosoma mansoni hypothetical protein 0.0052 0.0571 0.0597
Onchocerca volvulus Glucosylceramidase homolog 0.017 0.4682 1
Mycobacterium ulcerans cytochrome P450 126A3 Cyp126A3 0.0052 0.0571 0.0363
Schistosoma mansoni sex comb on midleg homolog 0.005 0.0515 0.0538
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0226 0.6617 0.8482
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.005 0.0515 0.0669
Trypanosoma cruzi cyclic nucleotide phosphodiesterase 0.0221 0.6446 0.9158
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.005 0.0515 0.0538
Mycobacterium ulcerans cytochrome P450 187A5 Cyp187A5 0.0052 0.0571 0.0363
Loa Loa (eye worm) hypothetical protein 0.0049 0.0479 0.0517
Schistosoma mansoni single-minded 0.0057 0.0727 0.076
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0057 0.0758 0.0973
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0236 0.6986 1
Trichomonas vaginalis glucosylceramidase, putative 0.0259 0.7787 1
Mycobacterium ulcerans cytochrome P450 187A4 Cyp187A4 0.0052 0.0571 0.0363
Schistosoma mansoni sex comb on midleg homolog 0.005 0.0515 0.0538
Loa Loa (eye worm) mbt repeat family protein 0.005 0.0515 0.0563
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0259 0.7787 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0071 0.1216 0.1006
Schistosoma mansoni hypothetical protein 0.0311 0.9569 1
Trichomonas vaginalis glucosylceramidase, putative 0.0259 0.7787 1
Brugia malayi Cytochrome P450 family protein 0.017 0.4673 0.6001
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0203 0.5813 0.8321
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0236 0.6986 1
Mycobacterium ulcerans cytochrome P450 150A6 Cyp150A6 0.0052 0.0571 0.0363
Trichomonas vaginalis glucosylceramidase, putative 0.0259 0.7787 1
Mycobacterium ulcerans cytochrome P450 140A5 Cyp140A5 0.0052 0.0571 0.0363
Brugia malayi follicle stimulating hormone receptor 0.0226 0.6617 0.8498
Mycobacterium ulcerans aldehyde dehydrogenase 0.0071 0.1216 0.1023
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0071 0.1216 0.1741
Mycobacterium leprae Conserved hypothetical protein 0.0052 0.0571 0.5
Brugia malayi Cytochrome P450 family protein 0.0052 0.0571 0.0733
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0203 0.5813 0.8321
Trichomonas vaginalis glucosylceramidase, putative 0.0259 0.7787 1
Loa Loa (eye worm) cytochrome P450 family protein 0.017 0.4673 0.5959
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0236 0.6986 1
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0236 0.6986 0.8972
Trichomonas vaginalis glucosylceramidase, putative 0.0259 0.7787 1
Brugia malayi Cytochrome P450 family protein 0.009 0.1894 0.2432
Echinococcus multilocularis histone acetyltransferase MYST2 0.0057 0.0758 0.1085
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0236 0.6986 0.7422
Brugia malayi cytochrome P450 0.0052 0.0571 0.0733
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0479 0.0517
Loa Loa (eye worm) hypothetical protein 0.005 0.0515 0.0563
Echinococcus multilocularis 0.0052 0.0571 0.0817
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0236 0.6986 1
Loa Loa (eye worm) CYP4Cod1 0.009 0.1894 0.2353

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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