Detailed information for compound 1840388

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 357.447 | Formula: C20H27N3O3
  • H donors: 2 H acceptors: 3 LogP: 1.02 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC1NC(C)CN(C1)c1ccc2c(c1)n(cc(c2=O)C(=O)O)C(C)(C)C
  • InChi: 1S/C20H27N3O3/c1-12-9-22(10-13(2)21-12)14-6-7-15-17(8-14)23(20(3,4)5)11-16(18(15)24)19(25)26/h6-8,11-13,21H,9-10H2,1-5H3,(H,25,26)
  • InChiKey: FUKRPRFEHOSVRT-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
Leishmania major ubiquitin-activating enzyme e1, putative 0.0114 0.0211 0.0744
Trypanosoma cruzi ubiquitin activating enzyme, putative 0.0576 0.2831 1
Schistosoma mansoni clathrin coat associated protein ap-50 0.0153 0.043 0.0261
Echinococcus multilocularis ubiquitin modifier activating enzyme 1 0.0214 0.0778 0.0778
Echinococcus granulosus ubiquitin modifier activating enzyme 1 0.0214 0.0778 0.0778
Toxoplasma gondii hypothetical protein 0.0118 0.0232 0.0227
Giardia lamblia Ubiquitin-conjugating enzyme E1 0.0139 0.0352 0.5
Entamoeba histolytica ThiF family protein 0.0107 0.0173 0.0169
Trypanosoma brucei ubiquitin-activating enzyme E1, putative 0.0139 0.0352 0.0674
Trichomonas vaginalis molybdopterin biosynthesis moeb protein, putative 0.0576 0.2831 0.3981
Trypanosoma cruzi ubiquitin-activating enzyme E1, putative 0.0139 0.0352 0.0779
Loa Loa (eye worm) hypothetical protein 0.0107 0.0173 0.0169
Trichomonas vaginalis ubiquitin-activating enzyme E1, putative 0.0107 0.0173 0.0237
Loa Loa (eye worm) ube1-prov protein 0.0214 0.0778 0.0773
Leishmania major ubiquitin-activating enzyme e1, putative 0.0139 0.0352 0.1244
Trichomonas vaginalis ubiquitin-activating enzyme E1, putative 0.0107 0.0173 0.0237
Trichomonas vaginalis ubiquitin-activating enzyme E1, putative 0.1331 0.7105 1
Trichomonas vaginalis ubiquitin-activating enzyme E1c, putative 0.0178 0.0572 0.0799
Trichomonas vaginalis ubiquitin-activating enzyme E1, putative 0.0178 0.0572 0.0799
Trypanosoma brucei NEDD8 activating enzyme subunit, putative 0.0576 0.2831 1
Trypanosoma cruzi NEDD8-activating enzyme E1 regulatory subunit, putative 0.0107 0.0173 0.0113
Echinococcus granulosus ubiquitin modifier activating enzyme 6 0.0214 0.0778 0.0778
Plasmodium falciparum NEDD8-activating enzyme E1 catalytic subunit, putative 0.0576 0.2831 1
Leishmania major ubiquitin activating enzyme, putative 0.0576 0.2831 1
Echinococcus granulosus NEDD8 activating enzyme E1 regulatory subunit 0.0107 0.0173 0.0173
Entamoeba histolytica ubiquitin-activating enzyme, putative 0.0214 0.0778 0.0773
Schistosoma mansoni sumo-1-activating enzyme E1a 0.0118 0.0232 0.0059
Schistosoma mansoni clathrin coat associated protein ap-50 0.0153 0.043 0.0261
Entamoeba histolytica ubiquitin-activating enzyme, putative 0.1841 1 1
Trichomonas vaginalis ubiquitin-activating enzyme E1, putative 0.0104 0.0156 0.0213
Trypanosoma cruzi ubiquitin activating enzyme, putative 0.0576 0.2831 1
Toxoplasma gondii NEDD8-activating enzyme E1 catalytic subunit 0.1841 1 1
Echinococcus granulosus NEDD8 activating enzyme E1 catalytic subunit 0.1841 1 1
Loa Loa (eye worm) ectopic membrane ruffles in embryo protein 1 0.1841 1 1
Plasmodium falciparum SUMO-activating enzyme subunit 1 0.0118 0.0232 0.0803
Trypanosoma cruzi ubiquitin-activating enzyme E1, putative 0.0139 0.0352 0.0779
Entamoeba histolytica ubiquitin-activating enzyme E1 1, putative 0.0178 0.0572 0.0567
Loa Loa (eye worm) hypothetical protein 0.0118 0.0232 0.0227
Leishmania major hypothetical protein, conserved 0.0107 0.0173 0.0612
Brugia malayi ThiF family protein 0.0118 0.0232 0.0059
Echinococcus multilocularis NEDD8 activating enzyme E1 catalytic subunit 0.1841 1 1
Brugia malayi ube1-prov protein 0.0214 0.0778 0.0615
Plasmodium falciparum ubiquitin-activating enzyme E1 0.0214 0.0778 0.2735
Trichomonas vaginalis ubiquitin-activating enzyme E1, putative 0.0178 0.0572 0.0799
Echinococcus granulosus SUMO activating enzyme subunit 1 0.0118 0.0232 0.0232
Trypanosoma brucei ubiquitin-activating enzyme E1, putative 0.0114 0.0211 0.0141
Echinococcus multilocularis SUMO activating enzyme subunit 1 0.0118 0.0232 0.0232
Schistosoma mansoni ubiquitin-activating enzyme E1C 0.1841 1 1
Trichomonas vaginalis ubiquitin-activating enzyme E1 X, putative 0.0109 0.0183 0.0251
Schistosoma mansoni ubiquitin-activating enzyme E1 0.0183 0.06 0.0434
Plasmodium vivax ubiquitin-activating enzyme E1C, putative 0.0576 0.2831 1
Echinococcus multilocularis NEDD8 activating enzyme E1 regulatory subunit 0.0107 0.0173 0.0173
Echinococcus multilocularis ubiquitin modifier activating enzyme 6 0.0214 0.0778 0.0778
Plasmodium vivax ubiquitin activating enzyme, putative 0.0118 0.0232 0.0803
Toxoplasma gondii ThiF family protein 0.0107 0.0173 0.0169

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) = 0.00016 uM/ml Antimycobacterial activity against Mycobacterium tuberculosis ChEMBL. No reference

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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