Detailed information for compound 511696
Basic information
Technical information
- Name: Unnamed compound
- MW: 509.597 | Formula: C25H23N3O5S2
-
H donors: 1
H acceptors: 6
LogP: 4.17
Rotable bonds: 10
Rule of 5 violations (Lipinski): 2 - SMILES: OC(=O)COc1ccc(cc1C)CN(S(=O)(=O)c1ccccc1)Cc1ccc(cc1)c1nnsc1
- InChi: 1S/C25H23N3O5S2/c1-18-13-20(9-12-24(18)33-16-25(29)30)15-28(35(31,32)22-5-3-2-4-6-22)14-19-7-10-21(11-8-19)23-17-34-27-26-23/h2-13,17H,14-16H2,1H3,(H,29,30)
- InChiKey: IRBBUUVYWCUQCV-UHFFFAOYSA-N
Network
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Synonyms
No synonyms found for this compound
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 | steroid hormone receptor | 0.0011 | 0.2584 | 0.2584 |
| Brugia malayi | Neurotransmitter-gated ion-channel transmembrane region family protein | 0.001 | 0.1438 | 0.1438 |
| Loa Loa (eye worm) | hypothetical protein | 0.0018 | 1 | 1 |
| Echinococcus granulosus | glycine receptor subunit alpha 1 | 0.0018 | 1 | 1 |
| Onchocerca volvulus | Putative nachr subunit | 0.0018 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0018 | 1 | 1 |
| Schistosoma mansoni | nuclear hormone receptor nor-1/nor-2 | 0.0011 | 0.2584 | 0.2584 |
| Loa Loa (eye worm) | nuclear Hormone Receptor family member | 0.0011 | 0.2584 | 0.2584 |
| Loa Loa (eye worm) | hypothetical protein | 0.0011 | 0.2584 | 0.2584 |
| Echinococcus granulosus | nicotinic acetylcholine receptor a11 subunit | 0.0018 | 1 | 1 |
| Echinococcus granulosus | nicotinic acetylcholine receptor subunit alpha 8 | 0.0018 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0018 | 1 | 1 |
| Echinococcus multilocularis | nicotinic acetylcholine receptor alpha subunit | 0.0018 | 1 | 1 |
| Echinococcus multilocularis | hepatocyte nuclear factor 4 alpha | 0.0011 | 0.2584 | 0.2584 |
| Brugia malayi | Neurotransmitter-gated ion-channel transmembrane region family protein | 0.0018 | 1 | 1 |
| Loa Loa (eye worm) | glutamate-gated chloride channel alpha3A subunit | 0.0018 | 1 | 1 |
| Brugia malayi | Neurotransmitter-gated ion-channel transmembrane region family protein | 0.0018 | 1 | 1 |
| Brugia malayi | acetylcholine receptor alpha subunit precursor, putative | 0.0018 | 1 | 1 |
| Echinococcus multilocularis | nuclear receptor 2DBD gamma | 0.0011 | 0.2584 | 0.2584 |
| Brugia malayi | Neurotransmitter-gated ion-channel ligand binding domain containing protein | 0.0018 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0018 | 1 | 1 |
| Schistosoma mansoni | nAChR subunit | 0.0018 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.001 | 0.1438 | 0.1438 |
| Brugia malayi | Cation transporter family protein | 0.0018 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0011 | 0.2584 | 0.2584 |
| Onchocerca volvulus | Protein ultraspiracle homolog | 0.0011 | 0.2584 | 0.2584 |
| Schistosoma mansoni | nAChR subunit | 0.0018 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0011 | 0.2584 | 0.2584 |
| Loa Loa (eye worm) | nicotinic acetylcholine receptor non-alpha subunit | 0.0018 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0018 | 1 | 1 |
| Brugia malayi | Ligand-binding domain of nuclear hormone receptor family protein | 0.0011 | 0.2584 | 0.2584 |
| Brugia malayi | ecdysteroid receptor | 0.0011 | 0.2584 | 0.2584 |
| Brugia malayi | Neurotransmitter-gated ion-channel ligand binding domain containing protein | 0.0018 | 1 | 1 |
| Echinococcus multilocularis | nicotinic acetylcholine receptor subunit alpha 8 | 0.0018 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.001 | 0.1438 | 0.1438 |
| Echinococcus multilocularis | nAChR subunit | 0.0018 | 1 | 1 |
| Echinococcus multilocularis | nuclear receptor 2DBD gamma | 0.0011 | 0.2584 | 0.2584 |
| Loa Loa (eye worm) | steroid hormone receptor | 0.0011 | 0.2584 | 0.2584 |
| Brugia malayi | Nuclear hormone receptor-like 1 | 0.0011 | 0.2584 | 0.2584 |
| Brugia malayi | Nuclear hormone receptor family member nhr-31 | 0.0011 | 0.2584 | 0.2584 |
| Loa Loa (eye worm) | hypothetical protein | 0.0011 | 0.2584 | 0.2584 |
| Onchocerca volvulus | 0.0018 | 1 | 1 | |
| Loa Loa (eye worm) | hypothetical protein | 0.001 | 0.1438 | 0.1438 |
| Schistosoma mansoni | FTZ-F1 nuclear receptor-like protein | 0.0011 | 0.2584 | 0.2584 |
| Echinococcus multilocularis | Nuclear hormone receptor family member nhr 41 | 0.0011 | 0.2584 | 0.2584 |
| Brugia malayi | nicotinic acetylcholine receptor alpha subunit, putative | 0.0018 | 1 | 1 |
| Echinococcus multilocularis | glycine receptor subunit beta | 0.0018 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.001 | 0.1438 | 0.1438 |
| Echinococcus multilocularis | Cys loop ligand gated ion channel subunit | 0.0018 | 1 | 1 |
| Echinococcus granulosus | nAChR subunit | 0.001 | 0.1438 | 0.1438 |
| Loa Loa (eye worm) | nuclear hormone receptor family member nhr-1 | 0.0011 | 0.2584 | 0.2584 |
| Echinococcus multilocularis | nicotinic acetylcholine receptor beta 1 subunit | 0.0018 | 1 | 1 |
| Brugia malayi | nuclear receptor NHR-88 | 0.0011 | 0.2584 | 0.2584 |
| Onchocerca volvulus | 0.0018 | 1 | 1 | |
| Echinococcus granulosus | hepatocyte nuclear factor 4 alpha | 0.0011 | 0.2584 | 0.2584 |
| Loa Loa (eye worm) | hypothetical protein | 0.0018 | 1 | 1 |
| Brugia malayi | Nuclear hormone receptor family member nhr-1 | 0.0011 | 0.2584 | 0.2584 |
| Loa Loa (eye worm) | hypothetical protein | 0.001 | 0.1438 | 0.1438 |
| Echinococcus granulosus | Nuclear hormone receptor family member nhr 41 | 0.0011 | 0.2584 | 0.2584 |
| Loa Loa (eye worm) | hypothetical protein | 0.0018 | 1 | 1 |
| Echinococcus multilocularis | glycine receptor subunit alpha 1 | 0.0018 | 1 | 1 |
| Echinococcus granulosus | nuclear receptor 2DBD gamma | 0.0011 | 0.2584 | 0.2584 |
| Echinococcus granulosus | nicotinic acetylcholine receptor alpha subunit | 0.0018 | 1 | 1 |
| Brugia malayi | acetylcholine receptor protein, alpha-like chain, putative | 0.0018 | 1 | 1 |
| Echinococcus granulosus | glycine receptor subunit beta | 0.0018 | 1 | 1 |
| Echinococcus multilocularis | glycine receptor subunit alpha 1 | 0.0018 | 1 | 1 |
| Brugia malayi | Neurotransmitter-gated ion-channel ligand binding domain containing protein | 0.0018 | 1 | 1 |
| Brugia malayi | Neurotransmitter-gated ion-channel transmembrane region family protein | 0.001 | 0.1438 | 0.1438 |
| Echinococcus granulosus | glycine receptor subunit alpha 1 | 0.0018 | 1 | 1 |
| Brugia malayi | gamma-aminobutyric-acid receptor beta subunit precursor | 0.0018 | 1 | 1 |
| Echinococcus multilocularis | nicotinic acetylcholine receptor a11 subunit | 0.0018 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0018 | 1 | 1 |
| Brugia malayi | Cation transporter family protein | 0.0018 | 1 | 1 |
| Brugia malayi | photoreceptor-specific nuclear receptor | 0.0011 | 0.2584 | 0.2584 |
| Echinococcus granulosus | Cys loop ligand gated ion channel subunit | 0.0018 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0011 | 0.2584 | 0.2584 |
| Echinococcus multilocularis | glycine receptor subunit alpha 1 | 0.0018 | 1 | 1 |
| Schistosoma mansoni | steroid hormone receptor ad4bp | 0.0011 | 0.2584 | 0.2584 |
| Loa Loa (eye worm) | hypothetical protein | 0.0018 | 1 | 1 |
| Echinococcus multilocularis | thyroid hormone receptor alpha | 0.0011 | 0.2584 | 0.2584 |
| Echinococcus granulosus | glycine receptor subunit beta | 0.0018 | 1 | 1 |
| Brugia malayi | Nuclear hormone receptor family member nhr-49 | 0.0011 | 0.2584 | 0.2584 |
| Loa Loa (eye worm) | hypothetical protein | 0.0018 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0011 | 0.2584 | 0.2584 |
| Echinococcus granulosus | neuronal acetylcholine receptor subunit alpha 4 | 0.0018 | 1 | 1 |
| Schistosoma mansoni | nAChR subunit | 0.0018 | 1 | 1 |
| Loa Loa (eye worm) | nuclear hormone receptor family member nhr-14 | 0.0011 | 0.2584 | 0.2584 |
| Brugia malayi | nicotinic acetylcholine receptor beta-1 chain precursor | 0.0018 | 1 | 1 |
| Brugia malayi | Neurotransmitter-gated ion-channel ligand binding domain containing protein | 0.0018 | 1 | 1 |
| Brugia malayi | Cation transporter family protein | 0.0018 | 1 | 1 |
| Brugia malayi | Ligand-binding domain of nuclear hormone receptor family protein | 0.0011 | 0.2584 | 0.2584 |
| Brugia malayi | nuclear hormone receptor | 0.0011 | 0.2584 | 0.2584 |
| Brugia malayi | Nuclear hormone receptor family member nhr-3 | 0.0011 | 0.2584 | 0.2584 |
| Echinococcus granulosus | ecdysone induced protein 78C | 0.0011 | 0.2584 | 0.2584 |
| Onchocerca volvulus | 0.001 | 0.1438 | 0.1438 | |
| Loa Loa (eye worm) | nuclear hormone receptor family member nhr-31 | 0.0011 | 0.2584 | 0.2584 |
| Onchocerca volvulus | 0.0011 | 0.2584 | 0.2584 | |
| Brugia malayi | Hypothetical glycine receptor like protein T20B12.9 in chromosome III | 0.001 | 0.1438 | 0.1438 |
| Loa Loa (eye worm) | hypothetical protein | 0.0018 | 1 | 1 |
| Brugia malayi | Nuclear hormone receptor family member nhr-14 | 0.0011 | 0.2584 | 0.2584 |
| Echinococcus multilocularis | nAChR subunit | 0.001 | 0.1438 | 0.1438 |
| Onchocerca volvulus | Bile acid receptor homolog | 0.0011 | 0.2584 | 0.2584 |
| Echinococcus granulosus | nAChR subunit | 0.0018 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.001 | 0.1438 | 0.1438 |
| Echinococcus multilocularis | neuronal acetylcholine receptor subunit alpha 4 | 0.0018 | 1 | 1 |
| Brugia malayi | Neurotransmitter-gated ion-channel transmembrane region family protein | 0.0018 | 1 | 1 |
| Schistosoma mansoni | Cys-loop ligand gated ion channel subunit | 0.0018 | 1 | 1 |
| Loa Loa (eye worm) | ligand-Gated ion Channel family member | 0.0018 | 1 | 1 |
| Echinococcus multilocularis | acetylcholine receptor subunit beta 1 | 0.0018 | 1 | 1 |
| Brugia malayi | Nuclear hormone receptor family member nhr-41 | 0.0011 | 0.2584 | 0.2584 |
| Schistosoma mansoni | RAR-like nuclear receptor | 0.0011 | 0.2584 | 0.2584 |
| Brugia malayi | Nuclear hormone receptor family member nhr-19 | 0.0011 | 0.2584 | 0.2584 |
| Loa Loa (eye worm) | hypothetical protein | 0.0011 | 0.2584 | 0.2584 |
| Entamoeba histolytica | hypothetical protein | 0.001 | 0.1438 | 0.5 |
| Loa Loa (eye worm) | nuclear hormone receptor family member nhr-40 | 0.0011 | 0.2584 | 0.2584 |
| Echinococcus granulosus | acetylcholine receptor subunit beta 1 | 0.0018 | 1 | 1 |
| Brugia malayi | Nuclear hormone receptor family member nhr-25 | 0.0011 | 0.2584 | 0.2584 |
| Brugia malayi | Steroid receptor seven-up type 2 | 0.0011 | 0.2584 | 0.2584 |
| Schistosoma mansoni | nAChR subunit (ShAR1-beta-like) | 0.0018 | 1 | 1 |
| Echinococcus multilocularis | FTZ F1 nuclear receptor protein | 0.0011 | 0.2584 | 0.2584 |
| Schistosoma mansoni | nuclear hormone receptor | 0.0011 | 0.2584 | 0.2584 |
| Loa Loa (eye worm) | LGC-31 protein | 0.0018 | 1 | 1 |
| Schistosoma mansoni | neurotransmitter gated ion channel | 0.001 | 0.1438 | 0.1438 |
| Brugia malayi | Nuclear hormone receptor family member nhr-19 | 0.0011 | 0.2584 | 0.2584 |
| Loa Loa (eye worm) | nuclear hormone receptor family member nhr-41 | 0.0011 | 0.2584 | 0.2584 |
| Loa Loa (eye worm) | ACC-1 protein | 0.0018 | 1 | 1 |
| Loa Loa (eye worm) | ACC-1 protein | 0.0018 | 1 | 1 |
| Echinococcus granulosus | nuclear receptor 2DBD gamma | 0.0011 | 0.2584 | 0.2584 |
| Echinococcus granulosus | retinoic acid receptor rxr beta a | 0.0011 | 0.2584 | 0.2584 |
| Loa Loa (eye worm) | hypothetical protein | 0.001 | 0.1438 | 0.1438 |
| Loa Loa (eye worm) | hypothetical protein | 0.0011 | 0.2584 | 0.2584 |
| Schistosoma mansoni | nAChR subunit (ShAR1-beta2-like) | 0.0018 | 1 | 1 |
| Echinococcus multilocularis | ecdysone induced protein 78C | 0.0011 | 0.2584 | 0.2584 |
| Brugia malayi | Nuclear hormone receptor family member nhr-25 | 0.0011 | 0.2584 | 0.2584 |
| Echinococcus multilocularis | glycine receptor subunit beta | 0.0018 | 1 | 1 |
| Loa Loa (eye worm) | nicotinic acetylcholine receptor alpha subunit | 0.0018 | 1 | 1 |
| Brugia malayi | Hypothetical glycine receptor like protein T20B12.9 in chromosome III | 0.0018 | 1 | 1 |
| Schistosoma mansoni | nAChR subunit | 0.0018 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0018 | 1 | 1 |
| Schistosoma mansoni | photoreceptor-specific nuclear receptor related | 0.0011 | 0.2584 | 0.2584 |
| Schistosoma mansoni | Cys-loop ligand gated ion channel subunit | 0.0018 | 1 | 1 |
| Onchocerca volvulus | 0.0018 | 1 | 1 | |
| Loa Loa (eye worm) | nuclear hormone receptor family member nhr-49 | 0.0011 | 0.2584 | 0.2584 |
| Echinococcus multilocularis | COUP TF:Svp nuclear hormone receptor | 0.0011 | 0.2584 | 0.2584 |
| Loa Loa (eye worm) | hypothetical protein | 0.0018 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0018 | 1 | 1 |
| Schistosoma mansoni | coup transcription factor | 0.0011 | 0.2584 | 0.2584 |
| Schistosoma mansoni | nAChR subunit | 0.0018 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0018 | 1 | 1 |
| Onchocerca volvulus | 0.001 | 0.1438 | 0.1438 | |
| Schistosoma mansoni | nicotinic acetylcholine receptor alpha | 0.001 | 0.1438 | 0.1438 |
| Onchocerca volvulus | 0.0018 | 1 | 1 | |
| Echinococcus granulosus | FTZ F1 nuclear receptor protein | 0.0011 | 0.2584 | 0.2584 |
| Loa Loa (eye worm) | GABA receptor subunit | 0.001 | 0.1438 | 0.1438 |
| Brugia malayi | Nuclear hormone receptor family member nhr-40 | 0.0011 | 0.2584 | 0.2584 |
| Loa Loa (eye worm) | hypothetical protein | 0.0018 | 1 | 1 |
| Brugia malayi | Neurotransmitter-gated ion-channel ligand binding domain containing protein | 0.0018 | 1 | 1 |
| Onchocerca volvulus | 0.0018 | 1 | 1 | |
| Onchocerca volvulus | Steroid hormone receptor family member cnr14 homolog | 0.0011 | 0.2584 | 0.2584 |
| Schistosoma mansoni | nAChR subunit | 0.0018 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.001 | 0.1438 | 0.1438 |
| Echinococcus granulosus | FTZ F1 alpha | 0.0011 | 0.2584 | 0.2584 |
| Schistosoma mansoni | Cys-loop ligand gated ion channel subunit | 0.001 | 0.1438 | 0.1438 |
| Brugia malayi | glutamate-gated chloride channel alpha3A subunit, putative | 0.001 | 0.1438 | 0.1438 |
| Schistosoma mansoni | nAChR subunit | 0.0018 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.001 | 0.1438 | 0.1438 |
| Echinococcus granulosus | glycine receptor subunit alpha 1 | 0.0018 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0018 | 1 | 1 |
| Schistosoma mansoni | thyroid hormone receptor | 0.0011 | 0.2584 | 0.2584 |
| Schistosoma mansoni | retinoic acid receptor RXR | 0.0011 | 0.2584 | 0.2584 |
| Schistosoma mansoni | retinoid-x-receptor (RXR) | 0.0011 | 0.2584 | 0.2584 |
| Schistosoma mansoni | nuclear receptor 2DBD-gamma | 0.0011 | 0.2584 | 0.2584 |
| Schistosoma mansoni | Tr4/Tr2 (homologue) | 0.0011 | 0.2584 | 0.2584 |
| Onchocerca volvulus | 0.0018 | 1 | 1 | |
| Brugia malayi | Neurotransmitter-gated ion-channel ligand binding domain containing protein | 0.0018 | 1 | 1 |
| Schistosoma mansoni | Cys-loop ligand gated ion channel subunit | 0.0018 | 1 | 1 |
| Brugia malayi | acetylcholine receptor, alpha-type subunit unc-38 precursor | 0.0018 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0018 | 1 | 1 |
| Echinococcus granulosus | COUP TF:Svp nuclear hormone receptor | 0.0011 | 0.2584 | 0.2584 |
| Echinococcus granulosus | nicotinic acetylcholine receptor beta 1 subunit | 0.0018 | 1 | 1 |
| Schistosoma mansoni | thyroid hormone receptor | 0.0011 | 0.2584 | 0.2584 |
| Echinococcus granulosus | nicotinic acetylcholine receptor subunit type | 0.0018 | 1 | 1 |
| Loa Loa (eye worm) | acetylcholine receptor alpha subunit | 0.0018 | 1 | 1 |
| Schistosoma mansoni | nAChR subunit (ShAR1-alpha-like) | 0.0018 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0018 | 1 | 1 |
| Loa Loa (eye worm) | excitatory GABA receptor EXP-1A | 0.0018 | 1 | 1 |
| Echinococcus multilocularis | FTZ F1 alpha | 0.0011 | 0.2584 | 0.2584 |
Activities
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.
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
No external resources registered for this compound
Bibliographic References
1 literature reference was collected for this gene.
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