Detailed information for compound 826013

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 378.487 | Formula: C22H22N2O2S
  • H donors: 0 H acceptors: 2 LogP: 4.3 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N(C1CC1)Cc1cccc(c1)OCCc1cscc1)c1ccccn1
  • InChi: 1S/C22H22N2O2S/c25-22(21-6-1-2-11-23-21)24(19-7-8-19)15-18-4-3-5-20(14-18)26-12-9-17-10-13-27-16-17/h1-6,10-11,13-14,16,19H,7-9,12,15H2
  • InChiKey: OSCIMRHLSCNLLN-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
Trichomonas vaginalis CAMK family protein kinase 0.0303 0.0515 0.5
Echinococcus multilocularis kinesin family 1 0.3595 0.7916 0.7924
Onchocerca volvulus Dual specificity protein kinase TTK homolog 0.0303 0.0515 0.1534
Loa Loa (eye worm) hypothetical protein 0.0184 0.0246 0.0126
Giardia lamblia Kinesin-5 0.0467 0.0883 1
Plasmodium falciparum kinesin-5 0.0467 0.0883 1
Onchocerca volvulus 0.0184 0.0246 0.0126
Loa Loa (eye worm) hypothetical protein 0.0184 0.0246 0.0126
Loa Loa (eye worm) hypothetical protein 0.0612 0.1208 0.5176
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0602 0.1186 0.0992
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0173 0.0223 0.1046
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0173 0.0223 0.5
Brugia malayi Kinesin motor domain containing protein 0.0467 0.0883 0.4152
Echinococcus multilocularis conserved hypothetical protein 0.4491 0.9932 1
Schistosoma mansoni dual specificity serine/threonine tyrosine kinase 0.0303 0.0515 0.044
Loa Loa (eye worm) hypothetical protein 0.102 0.2127 1
Echinococcus granulosus translocator protein 0.0184 0.0246 0.0025
Echinococcus granulosus tm gpcr rhodopsin 0.0602 0.1186 0.0985
Onchocerca volvulus 0.0184 0.0246 0.0126
Loa Loa (eye worm) hypothetical protein 0.0612 0.1208 0.5176
Echinococcus granulosus dual specificity serine:threonine tyrosine 0.0303 0.0515 0.0299
Trichomonas vaginalis CAMK family protein kinase 0.0303 0.0515 0.5
Onchocerca volvulus 0.0184 0.0246 0.0126
Loa Loa (eye worm) hypothetical protein 0.102 0.2127 1
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0173 0.0223 0.1046
Loa Loa (eye worm) solute carrier family 6 member 4 0.102 0.2127 1
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0173 0.0223 0.1046
Schistosoma mansoni kinesin eg-5 0.0467 0.0883 0.0994
Loa Loa (eye worm) hypothetical protein 0.0188 0.0257 0.018
Brugia malayi TspO/MBR family protein 0.0184 0.0246 0.1159
Brugia malayi Sodium:neurotransmitter symporter family protein 0.102 0.2127 1
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.102 0.2127 0.2867
Onchocerca volvulus 0.102 0.2127 1
Schistosoma mansoni sodium/chloride dependent transporter 0.0175 0.0227 0.0007
Loa Loa (eye worm) hypothetical protein 0.102 0.2127 1
Echinococcus granulosus kinesin family 1 0.3595 0.7916 0.7869
Schistosoma mansoni sodium/chloride dependent transporter 0.102 0.2127 0.2867
Schistosoma mansoni hypothetical protein 0.3128 0.6866 1
Loa Loa (eye worm) hypothetical protein 0.0184 0.0246 0.0126
Onchocerca volvulus 0.0184 0.0246 0.0126
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0173 0.0223 0.1046
Loa Loa (eye worm) TTK protein kinase 0.0303 0.0515 0.1534
Brugia malayi Protein kinase domain containing protein 0.0303 0.0515 0.242
Treponema pallidum sodium- and chloride- dependent transporter 0.102 0.2127 0.5
Loa Loa (eye worm) serotonin transporter b 0.102 0.2127 1
Loa Loa (eye worm) kinesin-like protein KLP2 0.0467 0.0883 0.3468
Loa Loa (eye worm) hypothetical protein 0.0184 0.0246 0.0126
Mycobacterium ulcerans tryptophan-rich sensory protein 0.0184 0.0246 0.5
Echinococcus multilocularis dual specificity serine:threonine tyrosine 0.0303 0.0515 0.0301
Echinococcus multilocularis serotonin transporter 0.102 0.2127 0.1962
Entamoeba histolytica kinesin, putative 0.0467 0.0883 0.5
Loa Loa (eye worm) norepinephrine transporter 0.102 0.2127 1
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0612 0.1208 0.568
Brugia malayi hypothetical protein 0.0173 0.0223 0.1046
Toxoplasma gondii kinesin motor domain-containing protein 0.0467 0.0883 1
Echinococcus granulosus serotonin transporter 0.102 0.2127 0.1948
Schistosoma mansoni peripheral-type benzodiazepine receptor 0.0184 0.0246 0.0036
Plasmodium vivax kinesin-5 0.0467 0.0883 1
Echinococcus multilocularis translocator protein 0.0184 0.0246 0.0025
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0612 0.1208 0.1484
Onchocerca volvulus Adenylate cyclase type 3 homolog 0.0191 0.0263 0.0214

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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