Detailed information for compound 1512528

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 503.613 | Formula: C28H29N3O4S
  • H donors: 0 H acceptors: 3 LogP: 3.15 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 2
  • SMILES: COC(=O)[C@]1(Cc2ccccc2)N2C(=NC[C@@H]2[C@H]2[C@@H]1C(=O)N(C2=O)Cc1ccccc1)SCC1CC1
  • InChi: 1S/C28H29N3O4S/c1-35-26(34)28(14-18-8-4-2-5-9-18)23-22(21-15-29-27(31(21)28)36-17-20-12-13-20)24(32)30(25(23)33)16-19-10-6-3-7-11-19/h2-11,20-23H,12-17H2,1H3/t21-,22+,23-,28-/m1/s1
  • InChiKey: XGOIJLPRBZNCGA-JTNFPWQOSA-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
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.007 0.1911 0.1911
Brugia malayi hypothetical protein 0.0107 0.6332 1
Echinococcus multilocularis receptor type tyrosine protein phosphatase F 0.0085 0.3668 0.3668
Echinococcus granulosus Down syndrome cell adhesion molecule 0.0072 0.2064 0.2064
Schistosoma mansoni titin 0.0068 0.1604 0.191
Onchocerca volvulus 0.0068 0.1604 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0068 0.1604 0.2533
Brugia malayi protein unc-22 0.0068 0.1604 0.2533
Echinococcus granulosus neuroglian 0.0085 0.3668 0.3668
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0085 0.3668 0.5793
Echinococcus multilocularis neuroglian 0.0085 0.3668 0.3668
Echinococcus multilocularis transfer RNA-Phe 0.0068 0.1604 0.1604
Loa Loa (eye worm) projectin 0.0068 0.1604 0.2533
Echinococcus multilocularis roundabout 2 0.0085 0.3668 0.3668
Schistosoma mansoni nephrin 0.0085 0.3668 0.4369
Loa Loa (eye worm) hypothetical protein 0.0084 0.3515 0.5551
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0085 0.3668 0.3668
Loa Loa (eye worm) hypothetical protein 0.0107 0.6332 1
Schistosoma mansoni ephrin receptor 0.007 0.1907 0.2271
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0085 0.3668 0.3668
Brugia malayi Immunoglobulin I-set domain containing protein 0.0068 0.1604 0.2533
Brugia malayi Immunoglobulin I-set domain containing protein 0.0068 0.1604 0.2533
Loa Loa (eye worm) CAMK protein kinase 0.0068 0.1604 0.2533
Schistosoma mansoni cell adhesion molecule 0.0125 0.8396 1
Loa Loa (eye worm) hypothetical protein 0.0068 0.1604 0.2533
Schistosoma mansoni cell adhesion molecule 0.0068 0.1604 0.191
Schistosoma mansoni cell adhesion molecule 0.0068 0.1604 0.191
Brugia malayi Immunoglobulin I-set domain containing protein 0.0068 0.1604 0.2533
Echinococcus granulosus contactin 0.0085 0.3668 0.3668
Loa Loa (eye worm) hypothetical protein 0.0084 0.3515 0.5551
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0086 0.3818 0.603
Schistosoma mansoni hypothetical protein 0.0068 0.1604 0.191
Schistosoma mansoni nephrin 0.0121 0.7936 0.9452
Loa Loa (eye worm) hypothetical protein 0.0107 0.6332 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0085 0.3668 0.5793
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0068 0.1604 0.2533
Echinococcus multilocularis titin 0.0068 0.1604 0.1604
Brugia malayi Immunoglobulin I-set domain containing protein 0.0072 0.2064 0.326
Loa Loa (eye worm) hypothetical protein 0.0107 0.6332 1
Schistosoma mansoni titin 0.0068 0.1604 0.191
Onchocerca volvulus 0.0068 0.1604 1
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0068 0.1604 0.1604
Loa Loa (eye worm) hypothetical protein 0.007 0.1911 0.3018
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0085 0.3668 0.5793
Echinococcus granulosus titin 0.0068 0.1604 0.1604
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0072 0.2064 0.326
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0085 0.3668 0.4369
Brugia malayi Immunoglobulin I-set domain containing protein 0.0085 0.3668 0.5793
Schistosoma mansoni hemicentin 0.0068 0.1604 0.191
Brugia malayi Immunoglobulin I-set domain containing protein 0.0086 0.3818 0.603
Echinococcus granulosus roundabout 2 0.0085 0.3668 0.3668
Brugia malayi Immunoglobulin I-set domain containing protein 0.0068 0.1604 0.2533
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0068 0.1604 0.2533
Brugia malayi Immunoglobulin I-set domain containing protein 0.0068 0.1604 0.2533
Echinococcus granulosus insulin growth factor 1 receptor beta 0.007 0.1907 0.1907
Echinococcus multilocularis roundabout 2 0.0085 0.3668 0.3668
Echinococcus granulosus twitchin 0.0066 0.1451 0.1451
Schistosoma mansoni cell adhesion molecule 0.0085 0.3668 0.4369
Loa Loa (eye worm) hypothetical protein 0.0068 0.1604 0.2533
Echinococcus granulosus titin 0.0068 0.1604 0.1604
Brugia malayi Immunoglobulin I-set domain containing protein 0.0085 0.3668 0.5793
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0068 0.1604 0.2533
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.007 0.1907 0.1907
Schistosoma mansoni myosin-binding protein-related 0.0068 0.1604 0.191
Echinococcus granulosus nephrin 0.0068 0.1604 0.1604
Echinococcus multilocularis Down syndrome cell adhesion molecule 0.0072 0.2064 0.2064
Schistosoma mansoni serine/threonine protein kinase 0.0068 0.1604 0.191
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0085 0.3668 0.3668
Echinococcus granulosus roundabout 2 0.0085 0.3668 0.3668
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0068 0.1604 0.2533
Onchocerca volvulus 0.0068 0.1604 1
Loa Loa (eye worm) hypothetical protein 0.0085 0.3668 0.5793
Brugia malayi Immunoglobulin I-set domain containing protein 0.0107 0.6332 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0068 0.1604 0.2533
Schistosoma mansoni cell adhesion molecule 0.0085 0.3668 0.4369
Echinococcus multilocularis contactin neuroglian septate junction protein 0.0085 0.3668 0.3668
Echinococcus granulosus neuroglian 0.0066 0.1451 0.1451
Echinococcus multilocularis neuroglian 0.0066 0.1451 0.1451
Brugia malayi Fibronectin type III domain containing protein 0.0107 0.6332 1
Schistosoma mansoni neuroglian 0.0085 0.3668 0.4369

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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