Detailed information for compound 882575

Basic information

Technical information
  • TDR Targets ID: 882575
  • Name: 5-(4-chlorophenyl)-1-(3-dimethylaminopropyl)- 4-(2,4-dimethyl1,3-thiazole-5-carbonyl)-3-hyd roxy-5H-pyrrol-2-one
  • MW: 433.952 | Formula: C21H24ClN3O3S
  • H donors: 1 H acceptors: 4 LogP: 4.18 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(CCCN1C(c2ccc(cc2)Cl)C(=C(C1=O)O)C(=O)c1sc(nc1C)C)C
  • InChi: 1S/C21H24ClN3O3S/c1-12-20(29-13(2)23-12)18(26)16-17(14-6-8-15(22)9-7-14)25(21(28)19(16)27)11-5-10-24(3)4/h6-9,17,27H,5,10-11H2,1-4H3
  • InChiKey: GOORAHGFQGZAOI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-(4-chlorophenyl)-1-(3-dimethylaminopropyl)-4-(2,4-dimethylthiazole-5-carbonyl)-3-hydroxy-5H-pyrrol-2-one
  • 5-(4-chlorophenyl)-1-(3-dimethylaminopropyl)-4-[(2,4-dimethyl-5-thiazolyl)-oxomethyl]-3-hydroxy-5H-pyrrol-2-one
  • 5-(4-chlorophenyl)-1-(3-dimethylaminopropyl)-4-(2,4-dimethylthiazole-5-carbonyl)-3-hydroxy-3-pyrrolin-2-one
  • 5-(4-chlorophenyl)-1-(3-dimethylaminopropyl)-4-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonyl]-3-hydroxy-5H-pyrrol-2-one
  • STOCK3S-43940

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
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.021 0.0203
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.021 0.0203
Loa Loa (eye worm) CXXC zinc finger family protein 0.0033 0.1704 0.8647
Plasmodium falciparum ornithine aminotransferase 0.0025 0.1226 1
Echinococcus granulosus cpg binding protein 0.0035 0.1814 0.9406
Onchocerca volvulus 0.0033 0.1704 0.5
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.021 0.0203
Echinococcus multilocularis cpg binding protein 0.0035 0.1814 0.9406
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.0176 1 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0037 0.1913 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.037 0.0709
Entamoeba histolytica hypothetical protein 0.0004 0 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0037 0.1913 0.4943
Chlamydia trachomatis glutamate-1-semialdehyde-2,1-aminomutase 0.0025 0.1226 0.5
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.021 0.0203
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.0176 1 1
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.021 0.0203
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.021 0.0203
Schistosoma mansoni ornithine--oxo-acid transaminase 0.0025 0.1226 0.3168
Mycobacterium tuberculosis Probable aminotransferase 0.0176 1 1
Brugia malayi CXXC zinc finger family protein 0.0033 0.1704 0.8654
Echinococcus multilocularis ornithine aminotransferase 0.0025 0.1226 0.5864
Echinococcus multilocularis ornithine aminotransferase 0.0025 0.1226 0.5864
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0037 0.1913 0.4943
Schistosoma mansoni cpg binding protein 0.0035 0.1814 0.4688
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.0176 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0037 0.1913 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.021 0.0203
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.021 0.0203
Echinococcus granulosus Aminotransferase class III 0.0025 0.1226 0.5864
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.021 0.0203
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0037 0.1913 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.021 0.0203
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0037 0.1913 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0008 0.0252 0.0651
Echinococcus multilocularis Aminotransferase class III 0.0025 0.1226 0.5864
Toxoplasma gondii histone lysine methyltransferase SET1 0.0063 0.3433 1
Trichomonas vaginalis helicase, putative 0.0008 0.021 0.0203
Plasmodium vivax ornithine aminotransferase, putative 0.0025 0.1226 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0037 0.1913 0.4943
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.021 0.0203
Echinococcus granulosus ornithine aminotransferase 0.0025 0.1226 0.5864
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.037 0.0709
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.021 0.0203
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.021 0.0203
Wolbachia endosymbiont of Brugia malayi acetylornithine transaminase protein 0.0025 0.1226 0.5
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.021 0.0203
Schistosoma mansoni cpg binding protein 0.0033 0.1704 0.4403
Mycobacterium ulcerans hypothetical protein 0.0176 1 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0071 0.3871 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.021 0.0203
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0005 0.0049 0.0127
Brugia malayi 4-aminobutyrate aminotransferase, mitochondrial precursor 0.0025 0.1226 0.557
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0037 0.1913 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.021 0.0203
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.021 0.0203
Schistosoma mansoni cpg binding protein 0.0035 0.1814 0.4688
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0037 0.1913 1

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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