Detailed information for compound 1590315

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 494.622 | Formula: C29H38N2O5
  • H donors: 2 H acceptors: 4 LogP: 4.54 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=C[C@]1(C)C[C@@H](OC(=O)N2Cc3c(C2=O)cccc3N)[C@]2(C)[C@H](C)CC[C@]3([C@H]([C@@H]1O)C)[C@H]2C(=O)CC3
  • InChi: 1S/C29H38N2O5/c1-6-27(4)14-22(36-26(35)31-15-19-18(25(31)34)8-7-9-20(19)30)28(5)16(2)10-12-29(17(3)24(27)33)13-11-21(32)23(28)29/h6-9,16-17,22-24,33H,1,10-15,30H2,2-5H3/t16-,17+,22-,23+,24+,27-,28+,29+/m1/s1
  • InChiKey: KFQNLFKFWPTGCZ-HQNYBAHZSA-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
Brugia malayi Immunoglobulin I-set domain containing protein 0.0164 0.2487 0.4421
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0131 0.0037 0.0037
Onchocerca volvulus 0.0131 0.0037 0.5
Echinococcus multilocularis contactin neuroglian septate junction protein 0.0164 0.2487 0.2487
Echinococcus multilocularis neuroglian 0.0164 0.2487 0.2487
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0164 0.2487 0.2487
Loa Loa (eye worm) hypothetical protein 0.0164 0.2487 0.4421
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0137 0.0476 0.0476
Loa Loa (eye worm) hypothetical protein 0.0207 0.5577 1
Loa Loa (eye worm) hypothetical protein 0.0164 0.2449 0.4354
Schistosoma mansoni ephrin receptor 0.0141 0.0773 0.0921
Brugia malayi Fibronectin type III domain containing protein 0.0207 0.5577 1
Schistosoma mansoni nephrin 0.0164 0.2487 0.3066
Echinococcus multilocularis Down syndrome cell adhesion molecule 0.0137 0.0513 0.0513
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0164 0.2487 0.3066
Loa Loa (eye worm) hypothetical protein 0.0207 0.5577 1
Echinococcus granulosus nephrin 0.0131 0.0037 0.0037
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0141 0.0773 0.0773
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0174 0.3185 0.5681
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0164 0.2487 0.2487
Echinococcus granulosus neuroglian 0.0164 0.2487 0.2487
Schistosoma mansoni cell adhesion molecule 0.024 0.8027 1
Echinococcus multilocularis roundabout 2 0.0164 0.2487 0.2487
Schistosoma mansoni nephrin 0.0234 0.7551 0.9404
Echinococcus granulosus roundabout 2 0.0164 0.2487 0.2487
Schistosoma mansoni cell adhesion molecule 0.0164 0.2487 0.3066
Echinococcus multilocularis titin 0.0131 0.0037 0.0037
Loa Loa (eye worm) hypothetical protein 0.0164 0.2449 0.4354
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0137 0.0513 0.0859
Echinococcus granulosus titin 0.0131 0.0037 0.0037
Brugia malayi Immunoglobulin I-set domain containing protein 0.0137 0.0513 0.0859
Brugia malayi Immunoglobulin I-set domain containing protein 0.0207 0.5577 1
Onchocerca volvulus 0.0131 0.0037 0.5
Echinococcus granulosus roundabout 2 0.0164 0.2487 0.2487
Brugia malayi hypothetical protein 0.0207 0.5577 1
Schistosoma mansoni neuroglian 0.0164 0.2487 0.3066
Echinococcus granulosus Down syndrome cell adhesion molecule 0.0137 0.0513 0.0513
Loa Loa (eye worm) hypothetical protein 0.0137 0.0476 0.0792
Schistosoma mansoni cell adhesion molecule 0.0164 0.2487 0.3066
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0164 0.2487 0.4421
Echinococcus granulosus contactin 0.0164 0.2487 0.2487
Brugia malayi Immunoglobulin I-set domain containing protein 0.0164 0.2487 0.4421
Echinococcus granulosus titin 0.0131 0.0037 0.0037
Echinococcus multilocularis receptor type tyrosine protein phosphatase F 0.0164 0.2487 0.2487
Brugia malayi Immunoglobulin I-set domain containing protein 0.0164 0.2487 0.4421
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0141 0.0773 0.0773
Loa Loa (eye worm) hypothetical protein 0.0207 0.5577 1
Onchocerca volvulus 0.0131 0.0037 0.5
Echinococcus multilocularis roundabout 2 0.0267 1 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0174 0.3185 0.5681
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0164 0.2487 0.2487
Echinococcus multilocularis roundabout 2 0.0164 0.2487 0.2487
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0164 0.2487 0.4421
Echinococcus multilocularis transfer RNA-Phe 0.0131 0.0037 0.0037

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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