Detailed information for compound 209961

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 616.576 | Formula: C34H24N4O8
  • H donors: 2 H acceptors: 7 LogP: 6.27 Rotable bonds: 13
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C(Nc1ccc(c(c1)C(=O)c1ccccc1)NC(=O)Cc1ccc(cc1)[N+](=O)[O-])/C=C/c1ccc(o1)c1ccc(cc1)[N+](=O)[O-]
  • InChi: 1S/C34H24N4O8/c39-32(19-16-28-15-18-31(46-28)23-8-13-27(14-9-23)38(44)45)35-25-10-17-30(29(21-25)34(41)24-4-2-1-3-5-24)36-33(40)20-22-6-11-26(12-7-22)37(42)43/h1-19,21H,20H2,(H,35,39)(H,36,40)/b19-16+
  • InChiKey: XCTMGVFEZZNZLB-KNTRCKAVSA-N  

Network

Hover on a compound node to display the structore

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 multilocularis methionyl aminopeptidase 1 (M24 family) 0.0281736 1 1
Trypanosoma cruzi metallo- peptidase, Clan MG, Family M24 0.0281736 1 1
Treponema pallidum methionine aminopeptidase (map) 0.0281736 1 0.5
Toxoplasma gondii methionine aminopeptidase 0.0281736 1 1
Onchocerca volvulus Methionine aminopeptidase 2 homolog 0.00971262 0 0.5
Giardia lamblia Methionine aminopeptidase 0.00971262 0 0.5
Echinococcus granulosus methionyl aminopeptidase 1 M24 family 0.0281736 1 1
Plasmodium falciparum methionine aminopeptidase 1b, putative 0.0281736 1 1
Plasmodium falciparum methionine aminopeptidase 1a, putative 0.0281736 1 1
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.00971262 0 0.5
Leishmania major methionine aminopeptidase, putative,metallo-peptidase, Clan MG, Family M24 0.0281736 1 1
Mycobacterium tuberculosis Methionine aminopeptidase MapA (map) (peptidase M) (MetAP) 0.0281736 1 0.5
Mycobacterium ulcerans methionine aminopeptidase 0.0281736 1 0.5
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.00971262 0 0.5
Trypanosoma brucei metallo- peptidase, Clan MG, Family M24 0.0281736 1 1
Brugia malayi Methionine aminopeptidase protein type I 0.0281736 1 1
Trypanosoma cruzi metallo- peptidase, Clan MG, Family M24 0.0281736 1 1
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.00971262 0 0.5
Mycobacterium tuberculosis Methionine aminopeptidase MapB (map) (peptidase M) 0.0281736 1 0.5
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPB (MAP) (PEPTIDASE M) 0.0281736 1 0.5
Chlamydia trachomatis methionine aminopeptidase 0.0281736 1 0.5
Schistosoma mansoni methionyl aminopeptidase 1 (M24 family) 0.0281736 1 1
Plasmodium vivax methionine aminopeptidase 1a, putative 0.0281736 1 1
Echinococcus multilocularis methionyl aminopeptidase 1 (M24 family) 0.0281736 1 1
Plasmodium vivax methionine aminopeptidase 1b, putative 0.0281736 1 1
Mycobacterium ulcerans methionine aminopeptidase MapB 0.0281736 1 0.5
Trypanosoma brucei methionine aminopeptidase, putative 0.0281736 1 1
Toxoplasma gondii methionine aminopeptidase 0.0281736 1 1
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPA (MAP) (PEPTIDASE M) (MetAP) 0.0281736 1 0.5
Schistosoma mansoni methionyl aminopeptidase 1 (M24 family) 0.0281736 1 1
Wolbachia endosymbiont of Brugia malayi methionine aminopeptidase 0.0281736 1 0.5
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.00971262 0 0.5
Trypanosoma brucei methionine aminopeptidase, type I, putative 0.0281736 1 1
Loa Loa (eye worm) methionine aminopeptidase type I 0.0281736 1 1
Toxoplasma gondii methionine aminopeptidase, type i, putative 0.0281736 1 1
Entamoeba histolytica methionine aminopeptidase, putative 0.00971262 0 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 1400 nM Inhibitory activity against intraerythrocytic forms of P. falciparum strain Dd2 using semi-automated microdilution assay ChEMBL. 12565929
IC50 (functional) = 1400 nM Inhibitory activity against intraerythrocytic forms of P. falciparum strain Dd2 using semi-automated microdilution assay ChEMBL. 12565929

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23 12565929

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.