Detailed information for compound 1507628

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 541.594 | Formula: C31H31N3O6
  • H donors: 1 H acceptors: 3 LogP: 3.62 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCOC(=O)[C@@H]1[C@H](CN([C@@]21C(=O)Nc1c2cccc1)C)[C@H]1[C@@H](Oc2ccccc2)C(=O)N1c1ccc(cc1)OC
  • InChi: 1S/C31H31N3O6/c1-4-39-29(36)25-22(18-33(2)31(25)23-12-8-9-13-24(23)32-30(31)37)26-27(40-21-10-6-5-7-11-21)28(35)34(26)19-14-16-20(38-3)17-15-19/h5-17,22,25-27H,4,18H2,1-3H3,(H,32,37)/t22-,25-,26-,27+,31-/m0/s1
  • InChiKey: KEHHDNJIHJFFSM-MROLOFOFSA-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 Mitotic checkpoint protein PRCC C terminal 0.0394 0.3347 0.7547
Echinococcus granulosus contactin 0.029 0.1675 0.3778
Schistosoma mansoni hemicentin 0.0234 0.0776 0.1779
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.029 0.1675 0.1759
Onchocerca volvulus 0.0234 0.0776 1
Echinococcus granulosus Down syndrome cell adhesion molecule 0.0241 0.09 0.2029
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.029 0.1675 0.3778
Schistosoma mansoni cell adhesion molecule 0.029 0.1675 0.3843
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.078 0.9522 1
Echinococcus multilocularis roundabout 2 0.0462 0.4435 1
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0241 0.09 0.0945
Onchocerca volvulus 0.0234 0.0776 1
Echinococcus multilocularis contactin neuroglian septate junction protein 0.029 0.1675 0.3778
Loa Loa (eye worm) projectin 0.0234 0.0776 0.0815
Brugia malayi Immunoglobulin I-set domain containing protein 0.0234 0.0776 0.0776
Brugia malayi Immunoglobulin I-set domain containing protein 0.0234 0.0776 0.0776
Echinococcus granulosus roundabout 2 0.029 0.1675 0.3778
Schistosoma mansoni myosin-binding protein-related 0.0234 0.0776 0.1779
Brugia malayi Immunoglobulin I-set domain containing protein 0.0241 0.09 0.09
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0394 0.3347 0.7547
Schistosoma mansoni cell adhesion molecule 0.0234 0.0776 0.1779
Echinococcus granulosus nephrin 0.0234 0.0776 0.1749
Schistosoma mansoni cell adhesion molecule 0.0234 0.0776 0.1779
Schistosoma mansoni hypothetical protein 0.0234 0.0776 0.1779
Loa Loa (eye worm) CAMK protein kinase 0.0234 0.0776 0.0815
Echinococcus multilocularis titin 0.0234 0.0776 0.1749
Echinococcus multilocularis roundabout 2 0.029 0.1675 0.3778
Echinococcus granulosus titin 0.0234 0.0776 0.1749
Brugia malayi Immunoglobulin I-set domain containing protein 0.0358 0.2759 0.2759
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.029 0.1675 0.3778
Brugia malayi Immunoglobulin I-set domain containing protein 0.0234 0.0776 0.0776
Schistosoma mansoni neuroglian 0.029 0.1675 0.3843
Echinococcus granulosus titin 0.0234 0.0776 0.1749
Brugia malayi Immunoglobulin I-set domain containing protein 0.0234 0.0776 0.0776
Echinococcus multilocularis roundabout 2 0.029 0.1675 0.3778
Echinococcus multilocularis thyroid hormone receptor alpha 0.0458 0.436 0.9831
Schistosoma mansoni serine/threonine protein kinase 0.0234 0.0776 0.1779
Echinococcus granulosus twitchin 0.0221 0.0573 0.1292
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0234 0.0776 0.0815
Brugia malayi Fibronectin type III domain containing protein 0.0358 0.2759 0.2759
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.029 0.1675 0.3778
Brugia malayi Immunoglobulin I-set domain containing protein 0.029 0.1675 0.1675
Brugia malayi Nuclear hormone receptor-like 1 0.078 0.9522 0.9522
Schistosoma mansoni nephrin 0.0406 0.3535 0.8108
Brugia malayi hypothetical protein 0.0358 0.2759 0.2759
Loa Loa (eye worm) hypothetical protein 0.0234 0.0776 0.0815
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0242 0.0904 0.2039
Loa Loa (eye worm) hypothetical protein 0.0358 0.2759 0.2898
Loa Loa (eye worm) hypothetical protein 0.0277 0.1473 0.1546
Echinococcus granulosus neuroglian 0.0221 0.0573 0.1292
Schistosoma mansoni cell adhesion molecule 0.029 0.1675 0.3843
Schistosoma mansoni thyroid hormone receptor 0.0458 0.436 1
Schistosoma mansoni ephrin receptor 0.0242 0.0904 0.2074
Brugia malayi Immunoglobulin I-set domain containing protein 0.0285 0.1601 0.1601
Brugia malayi Immunoglobulin I-set domain containing protein 0.0234 0.0776 0.0776
Brugia malayi protein unc-22 0.0234 0.0776 0.0776
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0234 0.0776 0.0815
Echinococcus multilocularis neuroglian 0.029 0.1675 0.3778
Echinococcus multilocularis neuroglian 0.0221 0.0573 0.1292
Schistosoma mansoni thyroid hormone receptor 0.0458 0.436 1
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.029 0.1675 0.1759
Schistosoma mansoni titin 0.0234 0.0776 0.1779
Loa Loa (eye worm) hypothetical protein 0.0234 0.0776 0.0815
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0234 0.0776 0.0815
Echinococcus granulosus neuroglian 0.029 0.1675 0.3778
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0234 0.0776 0.0815
Loa Loa (eye worm) hypothetical protein 0.0358 0.2759 0.2898
Echinococcus multilocularis transfer RNA-Phe 0.0234 0.0776 0.1749
Brugia malayi Immunoglobulin I-set domain containing protein 0.029 0.1675 0.1675
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0234 0.0776 0.1749
Schistosoma mansoni cell adhesion molecule 0.0414 0.3659 0.8392
Loa Loa (eye worm) hypothetical protein 0.0358 0.2759 0.2898
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0285 0.1601 0.1681
Echinococcus multilocularis Down syndrome cell adhesion molecule 0.0241 0.09 0.2029
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0242 0.0904 0.2039
Schistosoma mansoni nephrin 0.029 0.1675 0.3843
Schistosoma mansoni titin 0.0234 0.0776 0.1779
Echinococcus multilocularis receptor type tyrosine protein phosphatase F 0.029 0.1675 0.3778
Loa Loa (eye worm) hypothetical protein 0.0777 0.9465 0.994
Loa Loa (eye worm) hypothetical protein 0.029 0.1675 0.1759
Brugia malayi Immunoglobulin I-set domain containing protein 0.0234 0.0776 0.0776
Brugia malayi Nuclear hormone receptor-like 1 0.078 0.9522 0.9522
Schistosoma mansoni hypothetical protein 0.0394 0.3347 0.7677
Onchocerca volvulus 0.0234 0.0776 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.029 0.1675 0.1675
Echinococcus granulosus roundabout 2 0.0462 0.4435 1
Echinococcus granulosus roundabout 2 0.029 0.1675 0.3778
Loa Loa (eye worm) hypothetical protein 0.0229 0.0697 0.0732
Brugia malayi Immunoglobulin I-set domain containing protein 0.0234 0.0776 0.0776
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0229 0.0697 0.1571
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.029 0.1675 0.3843
Loa Loa (eye worm) hypothetical protein 0.0277 0.1473 0.1546

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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