Detailed information for compound 1744374

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 486.599 | Formula: C31H34O5
  • H donors: 0 H acceptors: 0 LogP: 7.74 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: C[C@H]1[C@H](Oc2ccc(cc2)c2cccc3c2cccc3)O[C@H]2[C@@]34[C@H]1CC[C@H]([C@@H]4CC[C@@](O2)(OO3)C)C
  • InChi: 1S/C31H34O5/c1-19-11-16-27-20(2)28(33-29-31(27)26(19)17-18-30(3,34-29)35-36-31)32-23-14-12-22(13-15-23)25-10-6-8-21-7-4-5-9-24(21)25/h4-10,12-15,19-20,26-29H,11,16-18H2,1-3H3/t19-,20-,26+,27+,28-,29-,30+,31-/m1/s1
  • InChiKey: SJCYSZQOHYQIBP-CYEQIVNKSA-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 initiation factor 2-associated protein. 0.364019 1 1
Plasmodium falciparum methionine aminopeptidase 1b, putative 0.0404494 0.0130842 0.0130842
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.364019 1 1
Schistosoma mansoni methionyl aminopeptidase 2 (M24 family) 0.364019 1 1
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.364019 1 1
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.364019 1 1
Echinococcus multilocularis traf and tnf receptor associated protein 0.108085 0.219379 0.219379
Toxoplasma gondii methionine aminopeptidase 0.0384456 0.00697251 0.00697251
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPB (MAP) (PEPTIDASE M) 0.0384456 0.00697251 1
Toxoplasma gondii methionine aminopeptidase 0.0404494 0.0130842 0.0130842
Schistosoma mansoni methionyl aminopeptidase 1 (M24 family) 0.0384456 0.00697251 0.00697251
Trypanosoma brucei methionine aminopeptidase 2, putative 0.364019 1 1
Echinococcus granulosus methionyl aminopeptidase 2 0.364019 1 1
Leishmania major methionine aminopeptidase, putative,metallo-peptidase, Clan MG, Family M24 0.0404494 0.0130842 0.0130842
Trypanosoma brucei metallo-peptidase, Clan MG, Family M24 0.364019 1 1
Treponema pallidum methionine aminopeptidase (map) 0.0384456 0.00697251 1
Brugia malayi Methionine aminopeptidase protein type I 0.0404494 0.0130842 0.0130842
Wolbachia endosymbiont of Brugia malayi methionine aminopeptidase 0.0384456 0.00697251 1
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.364019 1 1
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.108085 0.219379 0.219379
Plasmodium falciparum methionine aminopeptidase 2 0.364019 1 1
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24 0.364019 1 1
Toxoplasma gondii methionine aminopeptidase, type i, putative 0.0384456 0.00697251 0.00697251
Plasmodium vivax methionine aminopeptidase 1b, putative 0.0404494 0.0130842 0.0130842
Loa Loa (eye worm) endonuclease/Exonuclease/phosphatase 0.106968 0.215971 0.215971
Toxoplasma gondii methionine aminopeptidase 2, putative 0.364019 1 1
Mycobacterium tuberculosis Methionine aminopeptidase MapA (map) (peptidase M) (MetAP) 0.0384456 0.00697251 1
Echinococcus granulosus methionyl aminopeptidase 1 M24 family 0.0404494 0.0130842 0.0130842
Loa Loa (eye worm) methionine aminopeptidase type I 0.0404494 0.0130842 0.0130842
Plasmodium falciparum methionine aminopeptidase 1a, putative 0.0384456 0.00697251 0.00697251
Trypanosoma brucei metallo- peptidase, Clan MG, Family M24 0.0404494 0.0130842 0.0130842
Toxoplasma gondii endonuclease/exonuclease/phosphatase family protein 0.105316 0.210934 0.210934
Echinococcus multilocularis methionyl aminopeptidase 2 0.364019 1 1
Echinococcus granulosus traf and tnf receptor associated protein 0.108085 0.219379 0.219379
Mycobacterium ulcerans methionine aminopeptidase 0.0384456 0.00697251 1
Plasmodium vivax methionine aminopeptidase 1a, putative 0.0384456 0.00697251 0.00697251
Trypanosoma brucei methionine aminopeptidase, putative 0.0404494 0.0130842 0.0130842
Plasmodium vivax methionine aminopeptidase 2, putative 0.364019 1 1
Onchocerca volvulus Methionine aminopeptidase 2 homolog 0.364019 1 1
Entamoeba histolytica methionine aminopeptidase, putative 0.364019 1 1
Loa Loa (eye worm) initiation factor 2-associated protein 0.364019 1 1
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24 0.364019 1 1
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPA (MAP) (PEPTIDASE M) (MetAP) 0.0384456 0.00697251 1
Mycobacterium ulcerans methionine aminopeptidase MapB 0.0384456 0.00697251 1
Trypanosoma cruzi metallo- peptidase, Clan MG, Family M24 0.0404494 0.0130842 0.0130842
Chlamydia trachomatis methionine aminopeptidase 0.0384456 0.00697251 1
Echinococcus multilocularis methionyl aminopeptidase 1 (M24 family) 0.0404494 0.0130842 0.0130842
Trypanosoma brucei methionine aminopeptidase, type I, putative 0.0404494 0.0130842 0.0130842
Leishmania major methionine aminopeptidase 2, putative 0.364019 1 1
Echinococcus multilocularis methionyl aminopeptidase 1 (M24 family) 0.0384456 0.00697251 0.00697251
Trypanosoma cruzi metallo- peptidase, Clan MG, Family M24 0.0404494 0.0130842 0.0130842
Mycobacterium tuberculosis Methionine aminopeptidase MapB (map) (peptidase M) 0.0384456 0.00697251 1
Giardia lamblia Methionine aminopeptidase 0.364019 1 1
Schistosoma mansoni methionyl aminopeptidase 1 (M24 family) 0.0384456 0.00697251 0.00697251

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 2.88 nM In vitro antimalarial activity against K1 chloroquine resistant strain of Plasmodium falciparum (K1 strain) ChEMBL. 11141088
IC50 (functional) = 2.88 nM In vitro antimalarial activity against HB3 chloroquine sensitive strain of Plasmodium falciparum (HB3 strain) ChEMBL. 11141088

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23 11141088

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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