Detailed information for compound 814570

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 482.656 | Formula: C23H34N2O5S2
  • H donors: 0 H acceptors: 4 LogP: 4.1 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1c2CCN(Cc2sc1S(=O)(=O)N1CC[C@H]2[C@@H](C1)CCCC2)C(=O)C(C)(C)C
  • InChi: 1S/C23H34N2O5S2/c1-23(2,3)22(27)24-11-10-17-18(14-24)31-21(19(17)20(26)30-4)32(28,29)25-12-9-15-7-5-6-8-16(15)13-25/h15-16H,5-14H2,1-4H3/t15-,16-/m0/s1
  • InChiKey: BQFDTFYQMWYOKW-HOTGVXAUSA-N  


Substructure search Similarity search

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
Loa Loa (eye worm) hypothetical protein 0.0042 0.0742 0.0745
Loa Loa (eye worm) hypothetical protein 0.0033 0.0462 0.0464
Echinococcus granulosus Serine/threonine-protein kinase Genghis Khan 0.0108 0.2643 0.2653
Echinococcus granulosus defective proboscis extension response 0.0029 0.0359 0.0361
Schistosoma mansoni ephrin receptor 0.0019 0.0059 0.0059
Brugia malayi Immunoglobulin I-set domain containing protein 0.002 0.0103 0.0103
Schistosoma mansoni vesicular amine transporter 0.0029 0.0359 0.0359
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0018 0.0038 0.0038
Brugia malayi Fibronectin type III domain containing protein 0.0042 0.0742 0.0742
Loa Loa (eye worm) STE/STE20/MSN protein kinase 0.0254 0.6911 0.6937
Schistosoma mansoni serine/threonine protein kinase 0.0018 0.0038 0.0038
Schistosoma mansoni vam6/vps39 related 0.0106 0.2606 0.2606
Echinococcus granulosus twitchin 0.0034 0.0498 0.05
Echinococcus multilocularis receptor type tyrosine protein phosphatase F 0.002 0.0103 0.0149
Echinococcus granulosus protein kinase 0.0254 0.6911 0.6937
Loa Loa (eye worm) hypothetical protein 0.0106 0.2606 0.2615
Schistosoma mansoni nephrin 0.002 0.0103 0.0103
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0017 0.0002 0.0002
Echinococcus granulosus contactin 0.002 0.0103 0.0103
Echinococcus multilocularis 0.0254 0.6911 1
Echinococcus multilocularis GTPase activating Rap:RanGAP domain 3 0.0106 0.2606 0.377
Echinococcus multilocularis neuroglian 0.0032 0.046 0.0666
Schistosoma mansoni cell adhesion molecule 0.002 0.0103 0.0103
Echinococcus granulosus Vam6:Vps39 protein 0.0106 0.2606 0.2615
Schistosoma mansoni protein kinase 0.0361 1 1
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0029 0.0359 0.0359
Loa Loa (eye worm) hypothetical protein 0.002 0.0103 0.0103
Echinococcus granulosus titin 0.0018 0.0038 0.0038
Schistosoma mansoni protein kinase 0.0254 0.6911 0.6911
Echinococcus granulosus mitogen activated protein kinase kinase kinase 0.0108 0.2643 0.2653
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.002 0.0103 0.0149
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0038 0.0623 0.0625
Echinococcus granulosus roundabout 2 0.002 0.0103 0.0103
Echinococcus granulosus roundabout 2 0.002 0.0103 0.0103
Onchocerca volvulus 0.0106 0.2606 1
Trypanosoma brucei Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative 0.0106 0.2606 0.5
Loa Loa (eye worm) hypothetical protein 0.0042 0.0742 0.0745
Brugia malayi Immunoglobulin I-set domain containing protein 0.002 0.0103 0.0103
Brugia malayi hypothetical protein 0.0042 0.0742 0.0742
Brugia malayi Immunoglobulin I-set domain containing protein 0.0018 0.0038 0.0038
Loa Loa (eye worm) hypothetical protein 0.0029 0.0359 0.0361
Schistosoma mansoni nephrin 0.0046 0.0843 0.0843
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.002 0.0103 0.0103
Schistosoma mansoni protein kinase 0.0108 0.2643 0.2643
Schistosoma mansoni mitogen-activated protein kinase kinase kinase 3 mapkkk3 mekk3 0.0106 0.2606 0.2606
Brugia malayi Immunoglobulin I-set domain containing protein 0.002 0.0103 0.0103
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0019 0.0059 0.0086
Schistosoma mansoni mitogen-activated protein kinase kinase kinase 3 mapkkk3 mekk3 0.0106 0.2606 0.2606
Schistosoma mansoni titin 0.0018 0.0038 0.0038
Loa Loa (eye worm) hypothetical protein 0.0036 0.0563 0.0566
Brugia malayi hypothetical protein 0.0106 0.2606 0.2606
Schistosoma mansoni neuroglian 0.002 0.0103 0.0103
Echinococcus granulosus roundabout 2 0.0049 0.0946 0.095
Echinococcus granulosus Immunoglobulin 0.0029 0.0359 0.0361
Echinococcus multilocularis neuroglian 0.002 0.0103 0.0149
Echinococcus multilocularis Immunoglobulin 0.0029 0.0359 0.052
Echinococcus granulosus neuroglian 0.0032 0.046 0.0462
Loa Loa (eye worm) hypothetical protein 0.0029 0.0359 0.0361
Echinococcus multilocularis roundabout 2 0.002 0.0103 0.0149
Loa Loa (eye worm) CAMK protein kinase 0.0018 0.0038 0.0038
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.0108 0.2643 0.3825
Loa Loa (eye worm) hypothetical protein 0.0106 0.2606 0.2615
Schistosoma mansoni cell adhesion molecule 0.0046 0.0845 0.0845
Echinococcus multilocularis titin 0.0018 0.0038 0.0055
Echinococcus multilocularis serine:threonine protein kinase MRCK beta 0.0108 0.2643 0.3825
Schistosoma mansoni hypothetical protein 0.0106 0.2606 0.2606
Schistosoma mansoni serine/threonine protein kinase 0.0108 0.2643 0.2643
Brugia malayi protein unc-22 0.0018 0.0038 0.0038
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0029 0.0359 0.0359
Brugia malayi Temporarily assigned gene name protein 59 0.0106 0.2606 0.2606
Trypanosoma cruzi Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative 0.0106 0.2606 0.5
Echinococcus granulosus titin 0.0018 0.0038 0.0038
Schistosoma mansoni serine/threonine protein kinase 0.0108 0.2643 0.2643
Schistosoma mansoni cell adhesion molecule 0.002 0.0103 0.0103
Loa Loa (eye worm) hypothetical protein 0.0029 0.0359 0.0361
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0021 0.0141 0.0141
Echinococcus multilocularis roundabout 2 0.0049 0.0946 0.1369
Brugia malayi Immunoglobulin I-set domain containing protein 0.0042 0.0742 0.0742
Loa Loa (eye worm) hypothetical protein 0.0359 0.9962 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0017 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.0042 0.0742 0.0745
Onchocerca volvulus 0.0018 0.0038 0.0145
Echinococcus multilocularis Down syndrome cell adhesion molecule 0.0017 0.0002 0.0003
Brugia malayi Immunoglobulin I-set domain containing protein 0.0038 0.0623 0.0623
Brugia malayi Protein kinase domain containing protein 0.0108 0.2643 0.2643
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.0108 0.2643 0.3825
Loa Loa (eye worm) STE/STE20/KHS protein kinase 0.0108 0.2643 0.2653
Echinococcus granulosus serine:threonine protein kinase mig 15 0.0359 0.9962 1
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.002 0.0103 0.0103
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0019 0.0059 0.006
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0033 0.0462 0.0464
Echinococcus multilocularis contactin neuroglian septate junction protein 0.002 0.0103 0.0149
Echinococcus granulosus Down syndrome cell adhesion molecule 0.0017 0.0002 0.0002
Trypanosoma cruzi Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative 0.0106 0.2606 0.5
Loa Loa (eye worm) hypothetical protein 0.0036 0.0563 0.0566
Schistosoma mansoni rap gtpase-activating protein 0.0106 0.2606 0.2606
Echinococcus granulosus GTPase activating Rap:RanGAP domain 3 0.0106 0.2606 0.2615
Echinococcus multilocularis Immunoglobulin 0.0029 0.0359 0.052
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0029 0.0359 0.052
Echinococcus granulosus neuroglian 0.002 0.0103 0.0103
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.002 0.0103 0.0103
Echinococcus multilocularis roundabout 2 0.002 0.0103 0.0149
Echinococcus granulosus mitogen activated protein kinase kinase kinase 0.0108 0.2643 0.2653
Loa Loa (eye worm) hypothetical protein 0.0106 0.2606 0.2615
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.002 0.0103 0.0149

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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