Detailed information for compound 83338

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 389.49 | Formula: C24H27N3O2
  • H donors: 1 H acceptors: 2 LogP: 4.34 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=CCC(N(Cc1noc(c1)c1ccccc1)Cc1ccccc1)C(=O)N)C
  • InChi: 1S/C24H27N3O2/c1-18(2)13-14-22(24(25)28)27(16-19-9-5-3-6-10-19)17-21-15-23(29-26-21)20-11-7-4-8-12-20/h3-13,15,22H,14,16-17H2,1-2H3,(H2,25,28)
  • InChiKey: UYHCSPMJGMNOIA-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
Mycobacterium ulcerans DNA-directed RNA polymerase subunit beta 0.0509 0.0505 0.0329
Loa Loa (eye worm) DNA-directed RNA polymerase II second largest subunit 0.0026 0.0009 0.027
Chlamydia trachomatis DNA-directed RNA polymerase subunit beta 0.0509 0.0505 0.5
Leishmania major DNA-directed RNA polymerase polypeptide, putative 0.0026 0.0009 0.0421
Toxoplasma gondii DNA-directed RNA polymerase II RPB2 0.0026 0.0009 0.0421
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0195 0.0182 1
Plasmodium falciparum DNA-directed RNA polymerase III subunit RPC2, putative 0.0026 0.0009 0.0421
Plasmodium falciparum DNA-directed RNA polymerase II subunit RPB2, putative 0.0026 0.0009 0.0421
Mycobacterium leprae Probable integral membrane indolylacetylinositol arabinosyltransferase EmbC (arabinosylindolylacetylinositol synthase) 0.9752 1 1
Mycobacterium tuberculosis N-acetyl-1-D-myo-inosityl-2-amino-2-deoxy-alpha-D-glucopyranoside deacetylase MshB (GlcNAc-Ins deacetylase) 0.5896 0.6039 0.5995
Entamoeba histolytica N-acetylglucosaminyl-phosphatidylinositol de-N-acetylase, putative 0.0195 0.0182 1
Trypanosoma brucei DNA-directed RNA polymerase III, putative 0.0026 0.0009 0.0421
Mycobacterium ulcerans integral membrane indolylacetylinositol arabinosyltransferase EmbA 0.9752 1 1
Echinococcus multilocularis N acetylglucosaminyl phosphatidylinositol 0.0195 0.0182 1
Entamoeba histolytica glucosamine-6-phosphate isomerase, putative 0.0195 0.0182 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0195 0.0182 0.0073
Leishmania major N-acetyl-D-acetylglucosaminylphosphatidylinositol deacetylase 0.0195 0.0182 1
Trypanosoma brucei DNA-directed RNA polymerase II subunit 2, putative 0.0026 0.0009 0.0421
Loa Loa (eye worm) RNA polymerase III 128kD subunit-PA 0.0026 0.0009 0.027
Plasmodium vivax N-acetylglucosaminylphosphatidylinositol deacetylase, putative 0.0195 0.0182 1
Mycobacterium tuberculosis Integral membrane indolylacetylinositol arabinosyltransferase EmbC (arabinosylindolylacetylinositol synthase) 0.9752 1 1
Trypanosoma cruzi DNA-directed RNA polymerase III, putative 0.0026 0.0009 0.0502
Wolbachia endosymbiont of Brugia malayi DNA-directed RNA polymerase subunit beta/beta' 0.0509 0.0505 0.5
Toxoplasma gondii N-acetylglucosaminylphosphatidylinositol deacetylase 0.0195 0.0182 1
Trypanosoma brucei N-acetyl-D-glucosaminylphosphatidylinositol de-N-acetylase 0.0195 0.0182 1
Schistosoma mansoni DNA-directed RNA polymerase III subunit 0.0026 0.0009 0.0421
Trypanosoma cruzi RNA polymerase I second largest subunit, putative 0.0019 0.0002 0.0084
Giardia lamblia DNA-directed RNA polymerase subunit B 0.0026 0.0009 0.0421
Mycobacterium leprae DNA-DIRECTED RNA POLYMERASE (BETA CHAIN) RPOB (TRANSCRIPTASE BETA CHAIN) (RNA POLYMERASE BETA SUBUNIT) 0.0509 0.0505 0.0329
Trypanosoma cruzi N-Acetyl-D-glucosaminylphosphatidylinositol de-N-acetylase, putative 0.0195 0.0182 1
Plasmodium vivax DNA-directed RNA polymerase III subunit, putative 0.0026 0.0009 0.0421
Mycobacterium leprae Probable integral membrane indolylacetylinositol arabinosyltransferase EmbB (arabinosylindolylacetylinositol synthase) 0.9752 1 1
Plasmodium falciparum N-acetylglucosaminylphosphatidylinositol deacetylase, putative 0.0195 0.0182 1
Schistosoma mansoni N-acetylglucosaminyl-phosphatidylinositol de-n-acetylase 0.0195 0.0182 1
Toxoplasma gondii DNA-directed RNA polymerase III RPC2 0.0026 0.0009 0.0421
Trypanosoma cruzi N-Acetyl-D-glucosaminylphosphatidylinositol de-N-acetylase, putative 0.0195 0.0182 1
Brugia malayi Uncharacterized LmbE-like protein, COG2120 containing protein 0.0195 0.0182 1
Mycobacterium leprae N-Acetyl-1-D-myo-Inosityl-2-Amino-2-Deoxy-alpha-D-Glucopyranoside Deacetylase MshB (GlcNAc-Ins deacetylase) 0.5896 0.6039 0.5966
Giardia lamblia Glucosamine-6-phosphate isomerase, putative 0.0195 0.0182 1
Mycobacterium ulcerans integral membrane indolylacetylinositol arabinosyltransferase EmbB 0.9752 1 1
Echinococcus granulosus N acetylglucosaminyl phosphatidylinositol 0.0195 0.0182 1
Schistosoma mansoni DNA-directed rna polymerase II subunit 0.0026 0.0009 0.0421
Loa Loa (eye worm) phosphatidylinositol glycan anchor biosynthesis protein 0.0195 0.0182 1
Plasmodium falciparum DNA-directed RNA polymerase subunit beta, putative 0.0138 0.0124 0.6798
Plasmodium vivax DNA-directed RNA polymerase II subunit RPB2, putative 0.0026 0.0009 0.0421
Mycobacterium tuberculosis Integral membrane indolylacetylinositol arabinosyltransferase EmbB (arabinosylindolylacetylinositol synthase) 0.9752 1 1
Mycobacterium ulcerans N-acetyl-1-D-myo-inosityl-2-amino-2-deoxy-alpha-D-glucopyranoside deacetylase MshB 0.5896 0.6039 0.5966
Giardia lamblia DNA-directed RNA polymerase RPB2 0.0026 0.0009 0.0421
Mycobacterium ulcerans integral membrane indolylacetylinositol arabinosyltransferase EmbC 0.9752 1 1
Schistosoma mansoni DNA-directed RNA polymerase III subunit 0.0026 0.0009 0.0421
Treponema pallidum DNA-directed RNA polymerase subunit beta 0.0509 0.0505 0.5
Mycobacterium tuberculosis Integral membrane indolylacetylinositol arabinosyltransferase EmbA (arabinosylindolylacetylinositol synthase) 0.9752 1 1

Activities

Activity type Activity value Assay description Source Reference
Protection (functional) = 30 % In vivo antithrombotic activity in Swiss mice was determined when the compound was administered at 30 micromol/kg orally 1 hour prior to challenge ChEMBL. 12113805
Protection (functional) = 30 % In vivo antithrombotic activity in Swiss mice was determined when the compound was administered at 30 micromol/kg orally 1 hour prior to challenge ChEMBL. 12113805

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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