Detailed information for compound 1747480

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 443.62 | Formula: C30H37NO2
  • H donors: 1 H acceptors: 1 LogP: 6.49 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(c1ccc(cc1)OCCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O)C
  • InChi: 1S/C30H37NO2/c1-24(2)25-14-16-29(17-15-25)33-23-9-20-31-21-18-28(19-22-31)30(32,26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-17,24,28,32H,9,18-23H2,1-2H3
  • InChiKey: WHFHXMVSGNBDNY-UHFFFAOYSA-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
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.1172 0.4964 0.7127
Loa Loa (eye worm) phosphatidylinositol 3 0.086 0.3072 0.3487
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0425 0.0434 0.0639
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0975 0.3772 1
Plasmodium falciparum phosphatidylinositol 4-kinase 0.086 0.3072 1
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0425 0.0434 0.0403
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.086 0.3072 0.3049
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.1473 0.679 1
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0425 0.0434 0.0403
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0726 0.226 0.2873
Loa Loa (eye worm) phosphatidylinositol 3 0.0359 0.0033 0.0037
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0425 0.0434 0.0403
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.086 0.3072 0.4524
Entamoeba histolytica hypothetical protein 0.1277 0.5599 0.8126
Schistosoma mansoni phosphatidylinositol 4-kinase 0.086 0.3072 0.3049
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0425 0.0434 0.0594
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0923 0.3451 0.5059
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0621 0.1625 0.1874
Loa Loa (eye worm) hypothetical protein 0.0923 0.3451 0.3918
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0425 0.0434 0.0403
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1473 0.679 1
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.086 0.3072 1
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0621 0.1625 0.1874
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0529 0.1065 0.1528
Giardia lamblia Phosphatidylinositol 4-kinase 0.086 0.3072 0.774
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.1277 0.5599 0.8126
Loa Loa (eye worm) hypothetical protein 0.055 0.1194 0.1355
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0621 0.1625 0.1874
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0923 0.3451 0.343
Onchocerca volvulus 0.0359 0.0033 0.5
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0621 0.1625 0.2357
Toxoplasma gondii phosphatidylinositol 4-kinase 0.0592 0.1447 0.282
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.1473 0.679 1
Loa Loa (eye worm) phosphatidylinositol 3 0.1806 0.8809 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0621 0.1625 0.1874
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0425 0.0434 0.0403
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0621 0.1625 0.1598
Leishmania major phosphatidylinositol 4-kinase, putative 0.086 0.3072 1
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0923 0.3451 0.343
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.086 0.3072 0.4497
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.086 0.3072 1
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0621 0.1625 0.4516
Toxoplasma gondii 1-phosphatidylinositol 4-kinase 0.0592 0.1447 0.282
Onchocerca volvulus 0.0359 0.0033 0.5
Loa Loa (eye worm) phosphatidylinositol kinase 0.0359 0.0033 0.0037
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.086 0.3072 0.4524
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0621 0.1625 0.1874
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.2002 1 1
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0425 0.0434 0.0493
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.1473 0.679 1
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.2002 1 1
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.1473 0.679 1
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.1473 0.679 1
Loa Loa (eye worm) hypothetical protein 0.0359 0.0033 0.0037
Loa Loa (eye worm) phosphatidylinositol 3 0.0359 0.0033 0.0037
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.1017 0.4025 1
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0425 0.0434 0.0639
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0621 0.1625 0.2393
Echinococcus multilocularis 0.086 0.3072 0.3049
Echinococcus multilocularis Zinc finger, PHD finger 0.0425 0.0434 0.0403
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.1205 0.5165 0.7443
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.1172 0.4964 0.7127
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.1473 0.679 1

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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