Detailed information for compound 318877

Basic information

Technical information
  • TDR Targets ID: 318877
  • Name: 2-[(5Z)-5-[[4-[2-(4-chlorophenyl)ethoxy]-3-ph enylmethoxyphenyl]methylidene]-4-oxo-2-sulfan ylidene-1,3-thiazolidin-3-yl]acetic acid
  • MW: 540.05 | Formula: C27H22ClNO5S2
  • H donors: 1 H acceptors: 3 LogP: 6.59 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 2
  • SMILES: OC(=O)CN1C(=S)S/C(=C\c2ccc(c(c2)OCc2ccccc2)OCCc2ccc(cc2)Cl)/C1=O
  • InChi: 1S/C27H22ClNO5S2/c28-21-9-6-18(7-10-21)12-13-33-22-11-8-20(14-23(22)34-17-19-4-2-1-3-5-19)15-24-26(32)29(16-25(30)31)27(35)36-24/h1-11,14-15H,12-13,16-17H2,(H,30,31)/b24-15-
  • InChiKey: SSKLGZLYOABIDO-IWIPYMOSSA-N  

Network

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Synonyms

  • 2-[(5Z)-5-[[3-benzyloxy-4-[2-(4-chlorophenyl)ethoxy]phenyl]methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]acetic acid
  • 2-[(5Z)-5-[[3-benzyloxy-4-[2-(4-chlorophenyl)ethoxy]phenyl]methylene]-4-oxo-2-thioxo-3-thiazolidinyl]acetic acid
  • 2-[(5Z)-5-[[4-[2-(4-chlorophenyl)ethoxy]-3-phenylmethoxy-phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanoic acid
  • 2-[(5Z)-5-[3-benzoxy-4-[2-(4-chlorophenyl)ethoxy]benzylidene]-4-keto-2-thioxo-thiazolidin-3-yl]acetic acid
  • AIDS-212874
  • AIDS212874
  • 3-Thiazolidineacetic acid, 5-[[4-[2-(4-chlorophenyl)ethoxy]-3-(phenylmethoxy)phenyl]methylene]-4-oxo-2-thioxo-, (5Z)-

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Candida albicans similar to dolichyl-P-mannose:protein mannosyltransferase involved in mannosylation of serine and threonine residues Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans hypothetical protein Get druggable targets OG5_131422 All targets in OG5_131422
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_131422 All targets in OG5_131422
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_131422 All targets in OG5_131422
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_131422 All targets in OG5_131422
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_131422 All targets in OG5_131422
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_131422 All targets in OG5_131422
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_131422 All targets in OG5_131422
Trichomonas vaginalis mannosyltransferase 1, putative Get druggable targets OG5_131422 All targets in OG5_131422
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_131422 All targets in OG5_131422
Candida albicans similar to dolichyl-P-mannose:protein mannosyltransferase involved in mannosylation of serine and threonine residues Get druggable targets OG5_131422 All targets in OG5_131422
Trichomonas vaginalis mannosyltransferase 1, putative Get druggable targets OG5_131422 All targets in OG5_131422
Candida albicans similar to dolichyl-P-mannose:protein mannosyltransferase involved in mannosylation of serine and threonine residues Get druggable targets OG5_131422 All targets in OG5_131422
Trichomonas vaginalis mannosyltransferase 1, putative Get druggable targets OG5_131422 All targets in OG5_131422

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
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0046 0.2558 0.2558
Trichomonas vaginalis mannosyltransferase 1, putative 0.0085 0.7113 1
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0109 1 1
Brugia malayi Cation transporter family protein 0.0046 0.2558 0.2558
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0046 0.2558 0.2558
Onchocerca volvulus 0.0046 0.2558 0.2558
Brugia malayi excitatory GABA receptor EXP-1A 0.0046 0.2558 0.2558
Loa Loa (eye worm) hypothetical protein 0.0046 0.2558 0.2558
Echinococcus granulosus glycine receptor subunit alpha 1 0.0046 0.2558 0.2558
Brugia malayi Ryanodine Receptor TM 4-6 family protein 0.0031 0.0701 0.0701
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0046 0.2558 0.2558
Onchocerca volvulus 0.0046 0.2558 0.2558
Schistosoma mansoni nAChR subunit 0.0046 0.2558 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.2558 0.2558
Onchocerca volvulus 0.0046 0.2558 0.2558
Echinococcus granulosus ryanodine receptor 44f 0.0031 0.0701 0.0701
Loa Loa (eye worm) hypothetical protein 0.0046 0.2558 0.2558
Entamoeba histolytica MIR domain protein 0.0031 0.0701 1
Trichomonas vaginalis conserved hypothetical protein 0.0085 0.7113 1
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0046 0.2558 0.2558
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0046 0.2558 0.2558
Echinococcus multilocularis nAChR subunit 0.0046 0.2558 0.2558
Loa Loa (eye worm) ACC-1 protein 0.0046 0.2558 0.2558
Loa Loa (eye worm) hypothetical protein 0.0031 0.0701 0.0701
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0046 0.2558 1
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0109 1 1
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0046 0.2558 0.2558
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0109 1 1
Echinococcus granulosus glycine receptor subunit alpha 1 0.0046 0.2558 0.2558
Onchocerca volvulus 0.0046 0.2558 0.2558
Echinococcus multilocularis ryanodine receptor 44f 0.0031 0.0701 0.0701
Echinococcus multilocularis glycine receptor subunit beta 0.0046 0.2558 0.2558
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0109 1 1
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0046 0.2558 0.2558
Loa Loa (eye worm) MIR domain-containing protein 0.0031 0.0701 0.0701
Loa Loa (eye worm) ACC-1 protein 0.0046 0.2558 0.2558
Loa Loa (eye worm) hypothetical protein 0.0031 0.0701 0.0701
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0046 0.2558 0.2558
Trichomonas vaginalis conserved hypothetical protein 0.0085 0.7113 1
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0046 0.2558 1
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0046 0.2558 0.2558
Loa Loa (eye worm) hypothetical protein 0.0046 0.2558 0.2558
Onchocerca volvulus 0.0046 0.2558 0.2558
Loa Loa (eye worm) hypothetical protein 0.0046 0.2558 0.2558
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0046 0.2558 0.2558
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0046 0.2558 1
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0046 0.2558 0.2558
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0046 0.2558 1
Echinococcus granulosus nAChR subunit 0.0046 0.2558 0.2558
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0046 0.2558 0.2558
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0046 0.2558 0.2558
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0046 0.2558 0.2558
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0109 1 1
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0046 0.2558 0.2558
Trichomonas vaginalis conserved hypothetical protein 0.0085 0.7113 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.2558 0.2558
Loa Loa (eye worm) LGC-31 protein 0.0046 0.2558 0.2558
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0046 0.2558 0.2558
Loa Loa (eye worm) hypothetical protein 0.0046 0.2558 0.2558
Echinococcus granulosus glycine receptor subunit beta 0.0046 0.2558 0.2558
Echinococcus granulosus stromal cell derived factor 2 0.0031 0.0701 0.0701
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0046 0.2558 0.2558
Echinococcus granulosus glycine receptor subunit alpha 1 0.0046 0.2558 0.2558
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0046 0.2558 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0701 0.0701
Echinococcus granulosus glycine receptor subunit beta 0.0046 0.2558 0.2558
Schistosoma mansoni stromal cell-derived factor 2 precursor-like protein 0.0031 0.0701 0.2739
Schistosoma mansoni nAChR subunit 0.0046 0.2558 1
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0046 0.2558 0.2558
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0109 1 1
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0046 0.2558 0.2558
Trichomonas vaginalis mannosyltransferase 1, putative 0.0085 0.7113 1
Onchocerca volvulus 0.0031 0.0701 0.0701
Loa Loa (eye worm) hypothetical protein 0.0046 0.2558 0.2558
Onchocerca volvulus Putative nachr subunit 0.0109 1 1
Schistosoma mansoni nAChR subunit 0.0046 0.2558 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.2558 0.2558
Brugia malayi Cation transporter family protein 0.0046 0.2558 0.2558
Onchocerca volvulus 0.0046 0.2558 0.2558
Brugia malayi Cation transporter family protein 0.0046 0.2558 0.2558
Loa Loa (eye worm) hypothetical protein 0.0046 0.2558 0.2558
Echinococcus multilocularis glycine receptor subunit beta 0.0046 0.2558 0.2558
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0046 0.2558 0.2558
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0046 0.2558 0.2558
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0046 0.2558 0.2558
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0046 0.2558 0.2558
Loa Loa (eye worm) hypothetical protein 0.0046 0.2558 0.2558
Trichomonas vaginalis conserved hypothetical protein 0.0085 0.7113 1
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0046 0.2558 0.2558
Schistosoma mansoni nAChR subunit 0.0046 0.2558 1
Trichomonas vaginalis conserved hypothetical protein 0.0085 0.7113 1
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0046 0.2558 0.2558
Loa Loa (eye worm) hypothetical protein 0.0046 0.2558 0.2558
Schistosoma mansoni nAChR subunit 0.0046 0.2558 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.2558 0.2558
Loa Loa (eye worm) hypothetical protein 0.0109 1 1
Schistosoma mansoni inositol 145-trisphosphate receptor 0.0031 0.0701 0.2739
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0046 0.2558 0.2558
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0046 0.2558 0.2558
Brugia malayi MIR domain containing protein 0.0031 0.0701 0.0701
Loa Loa (eye worm) hypothetical protein 0.0046 0.2558 0.2558
Trichomonas vaginalis mannosyltransferase 1, putative 0.0085 0.7113 1
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0109 1 1
Echinococcus multilocularis stromal cell derived factor 2 0.0031 0.0701 0.0701
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0046 0.2558 0.2558
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0046 0.2558 0.2558
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0046 0.2558 0.2558
Trichomonas vaginalis conserved hypothetical protein 0.0085 0.7113 1
Schistosoma mansoni nAChR subunit 0.0046 0.2558 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.2558 0.2558
Brugia malayi cation channel family protein 0.0031 0.0701 0.0701
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0046 0.2558 1
Schistosoma mansoni ryanodine receptor related 0.0031 0.0701 0.2739
Loa Loa (eye worm) hypothetical protein 0.0046 0.2558 0.2558
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0046 0.2558 0.2558
Loa Loa (eye worm) hypothetical protein 0.0046 0.2558 0.2558
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0046 0.2558 0.2558
Trichomonas vaginalis conserved hypothetical protein 0.0085 0.7113 1
Schistosoma mansoni nAChR subunit 0.0046 0.2558 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.2558 0.2558

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 0.05 uM In vitro inhibition of Candida albicans G418-sensitive proliferation ChEMBL. 15225710
IC50 (functional) = 0.05 uM In vitro inhibition of Candida albicans G418-sensitive proliferation ChEMBL. 15225710
IC50 (binding) = 1.6 uM In vitro inhibition of Candida albicans protein mannosyl transferase 1 ChEMBL. 15225710
IC50 (binding) = 1.6 uM In vitro inhibition of Candida albicans protein mannosyl transferase 1 ChEMBL. 15225710
IC50 (binding) = 1.6 uM Inhibition of Candida albicans PMT1 ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Candida albicans ChEMBL23 15225710

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

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.