Detailed information for compound 783729

Basic information

Technical information
  • TDR Targets ID: 783729
  • Name: ST5129647
  • MW: 342.412 | Formula: C18H18N2O3S
  • H donors: 1 H acceptors: 2 LogP: 3 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1NC(=O)CCn1c(=O)sc2c1cccc2)C
  • InChi: 1S/C18H18N2O3S/c1-12-7-8-15(23-2)13(11-12)19-17(21)9-10-20-14-5-3-4-6-16(14)24-18(20)22/h3-8,11H,9-10H2,1-2H3,(H,19,21)
  • InChiKey: REZGFQYRYARYOH-UHFFFAOYSA-N  

Network

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Synonyms

  • ZINC05015230

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
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0076 0.3735 0.3695
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0076 0.3735 1
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0076 0.3735 1
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0076 0.3735 0.3695
Schistosoma mansoni neurotransmitter gated ion channel 0.0046 0.119 0.1133
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0076 0.3735 0.3695
Trichomonas vaginalis pantothenate kinase, putative 0.0076 0.3657 1
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0076 0.3735 0.3695
Trichomonas vaginalis pantothenate kinase, putative 0.0076 0.3657 1
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0076 0.3735 0.3695
Schistosoma mansoni pantothenate kinase 0.0076 0.3657 0.3617
Loa Loa (eye worm) hypothetical protein 0.0046 0.119 0.1133
Loa Loa (eye worm) hypothetical protein 0.0046 0.119 0.1133
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0076 0.3735 1
Onchocerca volvulus 0.0151 1 1
Loa Loa (eye worm) hypothetical protein 0.0121 0.7455 0.7438
Onchocerca volvulus 0.0151 1 1
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0046 0.119 0.1133
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0076 0.3735 0.3695
Echinococcus granulosus glycine receptor subunit alpha 1 0.0076 0.3735 1
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0046 0.119 0.1133
Loa Loa (eye worm) hypothetical protein 0.0046 0.119 0.1133
Loa Loa (eye worm) hypothetical protein 0.0076 0.3735 0.3695
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0076 0.3735 0.3695
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0151 1 1
Onchocerca volvulus 0.0076 0.3735 0.2889
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0076 0.3735 1
Echinococcus granulosus glycine receptor subunit alpha 1 0.0076 0.3735 1
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0076 0.3735 0.3695
Loa Loa (eye worm) hypothetical protein 0.0076 0.3735 0.3695
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0076 0.3735 0.3695
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0076 0.3735 1
Onchocerca volvulus Putative nachr subunit 0.0076 0.3735 0.2889
Loa Loa (eye worm) hypothetical protein 0.0151 1 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0076 0.3735 0.3695
Loa Loa (eye worm) hypothetical protein 0.0076 0.3735 0.3695
Trichomonas vaginalis pantothenate kinase, putative 0.0076 0.3657 1
Echinococcus granulosus pantothenate kinase 4 0.0076 0.3657 0.9789
Trypanosoma cruzi pantothenate kinase subunit, putative 0.0076 0.3657 0.5
Loa Loa (eye worm) LGC-31 protein 0.0076 0.3735 0.3695
Schistosoma mansoni nAChR subunit 0.0076 0.3735 0.3695
Onchocerca volvulus 0.0076 0.3735 0.2889
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0076 0.3735 0.3695
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0076 0.3735 0.3695
Schistosoma mansoni nicotinic acetylcholine receptor alpha 0.0046 0.119 0.1133
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0076 0.3735 0.3695
Schistosoma mansoni nAChR subunit 0.0076 0.3735 0.3695
Loa Loa (eye worm) hypothetical protein 0.0046 0.119 0.1133
Echinococcus granulosus nAChR subunit 0.0046 0.119 0.3067
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0076 0.3735 1
Loa Loa (eye worm) hypothetical protein 0.0076 0.3735 0.3695
Loa Loa (eye worm) hypothetical protein 0.0151 1 1
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0046 0.119 0.1133
Loa Loa (eye worm) hypothetical protein 0.0046 0.119 0.1133
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0076 0.3735 0.3695
Loa Loa (eye worm) hypothetical protein 0.0046 0.119 0.1133
Loa Loa (eye worm) hypothetical protein 0.0076 0.3735 0.3695
Plasmodium falciparum pantothenate kinase 1, putative 0.0076 0.3657 1
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0076 0.3735 1
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0076 0.3735 0.3695
Onchocerca volvulus 0.0076 0.3735 0.2889
Loa Loa (eye worm) hypothetical protein 0.0076 0.3735 0.3695
Loa Loa (eye worm) hypothetical protein 0.0076 0.3735 0.3695
Onchocerca volvulus Fumble homolog 0.0076 0.3657 0.2801
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0076 0.3735 0.3695
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0151 1 1
Loa Loa (eye worm) hypothetical protein 0.0076 0.3735 0.3695
Giardia lamblia Pantothenate kinase 4 0.0076 0.3657 0.5
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0076 0.3735 1
Entamoeba histolytica pantothenate kinase 1, putative 0.0076 0.3657 1
Echinococcus multilocularis nAChR subunit 0.0076 0.3735 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0076 0.3735 0.3695
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0076 0.3735 1
Toxoplasma gondii fumble protein 0.0076 0.3657 1
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0076 0.3735 0.3695
Brugia malayi Cation transporter family protein 0.0076 0.3735 0.3695
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0076 0.3735 1
Echinococcus granulosus glycine receptor subunit beta 0.0076 0.3735 1
Onchocerca volvulus 0.0151 1 1
Loa Loa (eye worm) hypothetical protein 0.0076 0.3735 0.3695
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0076 0.3735 1
Loa Loa (eye worm) hypothetical protein 0.0076 0.3735 0.3695
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0076 0.3735 1
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0076 0.3735 0.3695
Leishmania major pantothenate kinase subunit, putative 0.0076 0.3657 0.5
Loa Loa (eye worm) pantothenate kinase 0.0076 0.3657 0.3617
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0076 0.3735 0.3695
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0076 0.3735 1
Loa Loa (eye worm) hypothetical protein 0.0076 0.3735 0.3695
Brugia malayi pantothenate kinase family protein 0.0076 0.3657 0.3617
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0076 0.3735 1
Schistosoma mansoni nAChR subunit 0.0076 0.3735 0.3695
Trichomonas vaginalis conserved hypothetical protein 0.0044 0.0983 0.2558
Loa Loa (eye worm) hypothetical protein 0.0076 0.3735 0.3695
Loa Loa (eye worm) hypothetical protein 0.0076 0.3735 0.3695
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0076 0.3735 1
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0076 0.3735 0.3695
Echinococcus multilocularis pantothenate kinase 4 0.0076 0.3657 0.9789
Loa Loa (eye worm) hypothetical protein 0.0046 0.119 0.1133
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0076 0.3735 0.3695
Schistosoma mansoni nAChR subunit 0.0076 0.3735 0.3695
Echinococcus granulosus glycine receptor subunit alpha 1 0.0076 0.3735 1
Schistosoma mansoni pantothenate kinase 0.0076 0.3657 0.3617
Plasmodium vivax pantothenate kinase, putative 0.0076 0.3657 1
Loa Loa (eye worm) hypothetical protein 0.0076 0.3735 0.3695
Loa Loa (eye worm) ACC-1 protein 0.0076 0.3735 0.3695
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0076 0.3735 0.3695
Loa Loa (eye worm) GABA receptor subunit 0.0046 0.119 0.1133
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0076 0.3735 1
Loa Loa (eye worm) hypothetical protein 0.0076 0.3735 0.3695
Schistosoma mansoni nAChR subunit 0.0076 0.3735 0.3695
Trichomonas vaginalis pantothenate kinase, putative 0.0076 0.3657 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0076 0.3735 0.3695
Loa Loa (eye worm) hypothetical protein 0.0076 0.3735 0.3695
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0076 0.3735 0.3695
Trypanosoma brucei pantothenate kinase subunit, putative 0.0076 0.3657 0.5
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0076 0.3735 1
Trypanosoma cruzi pantothenate kinase subunit, putative 0.0076 0.3657 0.5
Schistosoma mansoni nAChR subunit 0.0076 0.3735 0.3695
Loa Loa (eye worm) ACC-1 protein 0.0076 0.3735 0.3695
Echinococcus multilocularis nAChR subunit 0.0046 0.119 0.3067
Echinococcus multilocularis glycine receptor subunit beta 0.0076 0.3735 1
Echinococcus granulosus glycine receptor subunit beta 0.0076 0.3735 1
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0076 0.3735 0.3695
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0046 0.119 0.1133
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0046 0.119 0.1133
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0076 0.3735 1
Echinococcus granulosus nAChR subunit 0.0076 0.3735 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.119 0.1133
Echinococcus multilocularis glycine receptor subunit beta 0.0076 0.3735 1
Schistosoma mansoni nAChR subunit 0.0076 0.3735 0.3695
Trichomonas vaginalis pantothenate kinase, putative 0.0076 0.3657 1
Brugia malayi Cation transporter family protein 0.0076 0.3735 0.3695
Brugia malayi excitatory GABA receptor EXP-1A 0.0076 0.3735 0.3695
Loa Loa (eye worm) hypothetical protein 0.0076 0.3735 0.3695

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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