Detailed information for compound 403383

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 1208.57 | Formula: C68H101N7O12
  • H donors: 6 H acceptors: 10 LogP: 11.03 Rotable bonds: 33
    Rule of 5 violations (Lipinski): 3
  • SMILES: CC(CCCC(C1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)OC(=O)C(NC(=O)C(NC(=O)C1CCCN1C(=O)C1CCCN1C(=O)C(NC(=O)C1=CN(C=CC1)C)CC(=O)O)Cc1ccc(cc1)O)CCCCNC(=O)OC(C)(C)C)C)C
  • InChi: 1S/C68H101N7O12/c1-42(2)16-12-17-43(3)50-28-29-51-49-27-24-46-39-48(30-32-67(46,7)52(49)31-33-68(50,51)8)86-64(84)53(19-10-11-34-69-65(85)87-66(4,5)6)70-60(80)54(38-44-22-25-47(76)26-23-44)71-61(81)56-20-14-36-74(56)63(83)57-21-15-37-75(57)62(82)55(40-58(77)78)72-59(79)45-18-13-35-73(9)41-45/h13,22-26,35,41-43,48-57,76H,10-12,14-21,27-34,36-40H2,1-9H3,(H,69,85)(H,70,80)(H,71,81)(H,72,79)(H,77,78)
  • InChiKey: TXVKWEKXOGJCGR-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
Echinococcus granulosus fibronectin type III domain-containing protein 0.0378 0.586 0.586
Leishmania major hypothetical protein, conserved 0.0378 0.586 0.5
Schistosoma mansoni neuroglian 0.0378 0.586 0.586
Loa Loa (eye worm) hypothetical protein 0.0378 0.586 1
Onchocerca volvulus 0.0378 0.586 0.5
Loa Loa (eye worm) hypothetical protein 0.0378 0.586 1
Echinococcus multilocularis fibronectin type III domain-containing protein 0.0378 0.586 0.586
Brugia malayi Immunoglobulin I-set domain containing protein 0.0378 0.586 1
Brugia malayi myotactin form B 0.0378 0.586 1
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0378 0.586 0.586
Echinococcus multilocularis titin 0.0378 0.586 0.586
Echinococcus granulosus Down syndrome cell adhesion molecule 0.0378 0.586 0.586
Schistosoma mansoni cell adhesion molecule 0.0378 0.586 0.586
Schistosoma mansoni receptor protein tyrosine phosphatase 0.0378 0.586 0.586
Schistosoma mansoni protein tyrosine phosphatase 0.0378 0.586 0.586
Echinococcus multilocularis Phosphotidylinositol phosphatase PTPRQ 0.0378 0.586 0.586
Schistosoma mansoni cell adhesion molecule 0.0378 0.586 0.586
Loa Loa (eye worm) lethal protein 805 0.0378 0.586 1
Brugia malayi Protein-tyrosine phosphatase 0.0378 0.586 1
Echinococcus multilocularis transfer RNA-Phe 0.0378 0.586 0.586
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0378 0.586 1
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0378 0.586 0.586
Loa Loa (eye worm) UNCoordinated family member 0.0378 0.586 1
Echinococcus multilocularis roundabout 2 0.0378 0.586 0.586
Onchocerca volvulus 0.0378 0.586 0.5
Echinococcus multilocularis receptor type tyrosine protein phosphatase F 0.0378 0.586 0.586
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0378 0.586 0.586
Loa Loa (eye worm) hypothetical protein 0.0378 0.586 1
Schistosoma mansoni cell adhesion molecule 0.0378 0.586 0.586
Echinococcus multilocularis roundabout 2 0.0378 0.586 0.586
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0378 0.586 0.586
Schistosoma mansoni hemicentin 0.0378 0.586 0.586
Brugia malayi hypothetical protein 0.0378 0.586 1
Brugia malayi protein unc-22 0.0378 0.586 1
Echinococcus granulosus roundabout 2 0.0378 0.586 0.586
Echinococcus multilocularis cell adhesion molecule 0.0378 0.586 0.586
Brugia malayi Fibronectin type III domain containing protein 0.0378 0.586 1
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0378 0.586 1
Echinococcus multilocularis Receptor type tyrosine protein phosphatase O 0.0378 0.586 0.586
Loa Loa (eye worm) hypothetical protein 0.0378 0.586 1
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0378 0.586 0.586
Onchocerca volvulus 0.0378 0.586 0.5
Echinococcus granulosus Fibronectin type III 0.0378 0.586 0.586
Loa Loa (eye worm) hypothetical protein 0.0378 0.586 1
Brugia malayi Fibronectin type III domain containing protein 0.0378 0.586 1
Echinococcus granulosus cell adhesion molecule 0.0378 0.586 0.586
Loa Loa (eye worm) CAMK protein kinase 0.0378 0.586 1
Echinococcus multilocularis Fibronectin, type III 0.0378 0.586 0.586
Echinococcus multilocularis titin 0.0378 0.586 0.586
Loa Loa (eye worm) hypothetical protein 0.0378 0.586 1
Schistosoma mansoni ephrin receptor 0.0489 1 1
Echinococcus granulosus receptor type tyrosine protein phosphatase zeta 0.0378 0.586 0.586
Brugia malayi Immunoglobulin I-set domain containing protein 0.0378 0.586 1
Loa Loa (eye worm) hypothetical protein 0.0378 0.586 1
Echinococcus granulosus roundabout 2 0.0378 0.586 0.586
Echinococcus multilocularis neuroglian 0.0378 0.586 0.586
Echinococcus granulosus titin 0.0378 0.586 0.586
Echinococcus granulosus contactin 0.0378 0.586 0.586
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0378 0.586 1
Schistosoma mansoni cell adhesion molecule 0.0378 0.586 0.586
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0378 0.586 0.586
Loa Loa (eye worm) hypothetical protein 0.0378 0.586 1
Echinococcus multilocularis contactin neuroglian septate junction protein 0.0378 0.586 0.586
Echinococcus multilocularis Fibronectin type III domain containing protein 0.0378 0.586 0.586
Onchocerca volvulus 0.0378 0.586 0.5
Echinococcus granulosus neuroglian 0.0378 0.586 0.586
Loa Loa (eye worm) hypothetical protein 0.0378 0.586 1
Echinococcus granulosus anosmin 1 0.0378 0.586 0.586
Schistosoma mansoni serine/threonine protein kinase 0.0378 0.586 0.586
Echinococcus granulosus EG95 0.0378 0.586 0.586
Schistosoma mansoni factor for adipocyte differentiation 0.0378 0.586 0.586
Schistosoma mansoni titin 0.0378 0.586 0.586
Schistosoma mansoni factor for adipocyte differentiation 0.0378 0.586 0.586
Loa Loa (eye worm) hypothetical protein 0.0378 0.586 1
Loa Loa (eye worm) fibronectin type III domain-containing protein 0.0378 0.586 1
Loa Loa (eye worm) hypothetical protein 0.0378 0.586 1
Echinococcus granulosus Netrin receptor DCC 0.0378 0.586 0.586
Echinococcus multilocularis Netrin receptor DCC 0.0378 0.586 0.586
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0378 0.586 1
Loa Loa (eye worm) projectin 0.0378 0.586 1
Echinococcus granulosus Phosphotidylinositol phosphatase PTPRQ 0.0378 0.586 0.586
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 30. 0.0378 0.586 1
Schistosoma mansoni nephrin 0.0378 0.586 0.586
Brugia malayi Immunoglobulin I-set domain containing protein 0.0378 0.586 1
Onchocerca volvulus 0.0378 0.586 0.5
Brugia malayi Immunoglobulin I-set domain containing protein 0.0378 0.586 1
Echinococcus granulosus anosmin 1 0.0378 0.586 0.586
Onchocerca volvulus 0.0378 0.586 0.5
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0489 1 1
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0378 0.586 1
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0378 0.586 0.586
Brugia malayi Fibronectin type III domain containing protein 0.0378 0.586 1
Schistosoma mansoni hypothetical protein 0.0378 0.586 0.586
Loa Loa (eye worm) hypothetical protein 0.0378 0.586 1
Echinococcus multilocularis roundabout 2 0.0378 0.586 0.586
Brugia malayi Immunoglobulin I-set domain containing protein 0.0378 0.586 1
Loa Loa (eye worm) myotactin form A 0.0378 0.586 1
Schistosoma mansoni nephrin 0.0378 0.586 0.586
Loa Loa (eye worm) hypothetical protein 0.0378 0.586 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0378 0.586 1
Echinococcus granulosus G1Y162 protein 0.0378 0.586 0.586
Echinococcus granulosus Phosphotidylinositol phosphatase PTPRQ 0.0378 0.586 0.586
Onchocerca volvulus 0.0378 0.586 0.5
Brugia malayi Immunoglobulin I-set domain containing protein 0.0378 0.586 1
Schistosoma mansoni titin 0.0378 0.586 0.586
Brugia malayi Fibronectin type III domain containing protein 0.0378 0.586 1
Echinococcus multilocularis anosmin 1 0.0378 0.586 0.586
Brugia malayi Immunoglobulin I-set domain containing protein 0.0378 0.586 1
Brugia malayi protein-tyrosine phosphatase Lar-like precursor, putative 0.0378 0.586 1
Echinococcus granulosus Netrin receptor DCC 0.0378 0.586 0.586
Schistosoma mansoni cell adhesion molecule 0.0378 0.586 0.586
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0378 0.586 0.586
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 32 0.0378 0.586 1
Onchocerca volvulus 0.0378 0.586 0.5
Brugia malayi Lethal protein 805 0.0378 0.586 1
Echinococcus granulosus usherin 0.0378 0.586 0.586
Echinococcus granulosus Fibronectin type III domain containing protein 0.0378 0.586 0.586
Onchocerca volvulus 0.0378 0.586 0.5
Echinococcus granulosus anosmin 1 0.0378 0.586 0.586
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0378 0.586 1
Onchocerca volvulus 0.0378 0.586 0.5
Brugia malayi SPRY domain containing protein 0.0378 0.586 1
Loa Loa (eye worm) hypothetical protein 0.0378 0.586 1
Echinococcus multilocularis usherin 0.0378 0.586 0.586
Echinococcus multilocularis receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type 0.0378 0.586 0.586
Onchocerca volvulus 0.0378 0.586 0.5
Echinococcus multilocularis Down syndrome cell adhesion molecule 0.0378 0.586 0.586
Echinococcus granulosus roundabout 2 0.0378 0.586 0.586
Loa Loa (eye worm) hypothetical protein 0.0378 0.586 1
Trypanosoma cruzi Fibronectin type III domain containing protein, putative 0.0378 0.586 0.5
Echinococcus granulosus nephrin 0.0378 0.586 0.586
Loa Loa (eye worm) hypothetical protein 0.0378 0.586 1
Loa Loa (eye worm) hypothetical protein 0.0378 0.586 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0378 0.586 1
Echinococcus multilocularis receptor type tyrosine protein phosphatase zeta 0.0378 0.586 0.586
Schistosoma mansoni tripartite motif protein trim9 0.0378 0.586 0.586
Onchocerca volvulus 0.0378 0.586 0.5
Onchocerca volvulus 0.0378 0.586 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0378 0.586 0.5
Loa Loa (eye worm) fibronectin type III domain-containing protein 0.0378 0.586 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0378 0.586 1
Loa Loa (eye worm) fibronectin type III domain-containing protein 0.0378 0.586 1
Loa Loa (eye worm) hypothetical protein 0.0378 0.586 1
Brugia malayi hypothetical protein 0.0378 0.586 1
Schistosoma mansoni hypothetical protein 0.0378 0.586 0.586
Onchocerca volvulus 0.0378 0.586 0.5
Brugia malayi Immunoglobulin I-set domain containing protein 0.0378 0.586 1
Loa Loa (eye worm) hypothetical protein 0.0378 0.586 1
Loa Loa (eye worm) hypothetical protein 0.0378 0.586 1
Schistosoma mansoni titin 0.0378 0.586 0.586
Echinococcus multilocularis anosmin 1 0.0378 0.586 0.586
Brugia malayi Immunoglobulin I-set domain containing protein 0.0378 0.586 1
Loa Loa (eye worm) hypothetical protein 0.0378 0.586 1
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0378 0.586 1
Echinococcus granulosus titin 0.0378 0.586 0.586
Echinococcus multilocularis anosmin 1 0.0378 0.586 0.586
Trypanosoma brucei Fibronectin type III domain containing protein, putative 0.0378 0.586 0.5
Schistosoma mansoni factor for adipocyte differentiation 0.0378 0.586 0.586
Loa Loa (eye worm) fibronectin type III domain-containing protein 0.0378 0.586 1
Echinococcus multilocularis Netrin receptor DCC 0.0378 0.586 0.586
Brugia malayi Fibronectin type III domain containing protein 0.0378 0.586 1
Brugia malayi Lethal protein 805 0.0378 0.586 1
Trypanosoma cruzi Fibronectin type III domain containing protein, putative 0.0378 0.586 0.5
Brugia malayi myotactin form A 0.0378 0.586 1
Schistosoma mansoni myosin-binding protein-related 0.0378 0.586 0.586
Schistosoma mansoni hypothetical protein 0.0378 0.586 0.586
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0378 0.586 0.586
Brugia malayi Fibronectin type III domain containing protein 0.0378 0.586 1

Activities

Activity type Activity value Assay description Source Reference
Latency time (functional) = 37 s Compound was evaluated for brain targeted delivery system by Tail flick latency as an index of spinal cord mediated analgesia in rats ChEMBL. 9748352

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

1 literature reference was collected for this gene.

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