Detailed information for compound 1051627

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 387.431 | Formula: C23H21N3O3
  • H donors: 2 H acceptors: 2 LogP: 5.13 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O/N=C(/c1ccc(nc1Oc1ccc2c(c1)c1ccccc1o2)C)\NCC1CC1
  • InChi: 1S/C23H21N3O3/c1-14-6-10-18(22(26-27)24-13-15-7-8-15)23(25-14)28-16-9-11-21-19(12-16)17-4-2-3-5-20(17)29-21/h2-6,9-12,15,27H,7-8,13H2,1H3,(H,24,26)
  • InChiKey: OIJSHKNADLARNT-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
Schistosoma mansoni hypothetical protein 0.0351 0.0823 0.0725
Echinococcus granulosus o acyltransferase membrane bound domain 0.0351 0.0823 0.0725
Toxoplasma gondii hypothetical protein 0.0351 0.0823 1
Trypanosoma brucei glycerol uptake protein, putative 0.0351 0.0823 1
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0351 0.0823 0.0725
Loa Loa (eye worm) hypothetical protein 0.0351 0.0823 0.0802
Trypanosoma cruzi GUP1, putative 0.0351 0.0823 1
Loa Loa (eye worm) MBOAT family protein 0.0351 0.0823 0.0802
Entamoeba histolytica hypothetical protein, conserved 0.0351 0.0823 0.5
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.006 0.0106 0.5
Plasmodium vivax diacylglycerol O-acyltransferase, putative 0.0351 0.0823 1
Echinococcus multilocularis Membrane bound O acyl transferase, MBOAT 0.0351 0.0823 0.0725
Brugia malayi MBOAT family protein 0.0351 0.0823 0.0823
Echinococcus granulosus lysophospholipid acyltransferase 7 0.0351 0.0823 0.0725
Echinococcus multilocularis sterol O acyltransferase 1 0.0351 0.0823 0.0725
Onchocerca volvulus 0.0351 0.0823 0.5
Echinococcus granulosus o acyltransferase membrane bound domain 0.0351 0.0823 0.0725
Trichomonas vaginalis conserved hypothetical protein 0.0351 0.0823 0.5
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0106 0.5
Echinococcus granulosus diacylglycerol O acyltransferase 1 0.0351 0.0823 0.0725
Leishmania major glycerol uptake protein, putative 0.0351 0.0823 1
Loa Loa (eye worm) hypothetical protein 0.0351 0.0823 0.0802
Loa Loa (eye worm) hypothetical protein 0.0351 0.0823 0.0802
Trypanosoma cruzi GUP1, putative 0.0351 0.0823 1
Entamoeba histolytica hypothetical protein 0.0351 0.0823 0.5
Echinococcus granulosus membrane bound acyltransferase:hhat 0.0351 0.0823 0.0725
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0351 0.0823 0.0725
Trichomonas vaginalis conserved hypothetical protein 0.0351 0.0823 0.5
Echinococcus granulosus sterol O acyltransferase 1 0.0351 0.0823 0.0725
Brugia malayi hypothetical protein 0.0027 0.0023 0.0023
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0106 0.5
Leishmania major glycerol uptake protein, putative 0.0351 0.0823 1
Brugia malayi MBOAT family protein 0.0351 0.0823 0.0823
Loa Loa (eye worm) hypothetical protein 0.0351 0.0823 0.0802
Leishmania major glycerol uptake protein, putative 0.0351 0.0823 1
Schistosoma mansoni diacylglycerol O-acyltransferase 1 0.0351 0.0823 0.0725
Trichomonas vaginalis conserved hypothetical protein 0.0351 0.0823 0.5
Loa Loa (eye worm) hhat protein 0.0351 0.0823 0.0802
Loa Loa (eye worm) hhat protein 0.0351 0.0823 0.0802
Trypanosoma cruzi glycerol uptake protein, putative 0.0351 0.0823 1
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0351 0.0823 0.5
Trypanosoma cruzi glycerol uptake protein, putative 0.0351 0.0823 1
Trypanosoma brucei glycerol uptake protein, putative 0.0351 0.0823 1
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0351 0.0823 0.5
Schistosoma mansoni membrane-bound acyltransferase/hhat 0.0351 0.0823 0.0725
Echinococcus granulosus protein cysteine N palmitoyltransferase 0.407 1 1
Echinococcus multilocularis protein cysteine N palmitoyltransferase 0.407 1 1
Trichomonas vaginalis transmembrane protein nessy, putative 0.0351 0.0823 0.5
Echinococcus granulosus zinc finger protein 0.3719 0.9135 0.9125
Echinococcus multilocularis diacylglycerol O acyltransferase 1 0.0351 0.0823 0.0725
Brugia malayi Hhat protein 0.0351 0.0823 0.0823
Loa Loa (eye worm) MBOAT family protein 0.0351 0.0823 0.0802
Plasmodium falciparum diacylglycerol O-acyltransferase 0.0351 0.0823 1
Echinococcus granulosus o acyltransferase membrane bound domain 0.0351 0.0823 0.0725
Trichomonas vaginalis porcupine, putative 0.0351 0.0823 0.5
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0351 0.0823 0.5
Schistosoma mansoni leukocyte receptor cluster (lrc) member 4 protein 0.0351 0.0823 0.0725
Echinococcus granulosus Membrane bound O acyl transferase MBOAT 0.0351 0.0823 0.0725
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0351 0.0823 0.0725
Leishmania major glycerol uptake protein, putative 0.0351 0.0823 1
Toxoplasma gondii acyl-CoA:cholesterol acyltransferase alpha ACAT1-alpha 0.0351 0.0823 1
Loa Loa (eye worm) MBOAT family protein 0.407 1 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.006 0.0106 0.1033
Loa Loa (eye worm) membrane bound O-acyltransferase domain containing 1 0.0351 0.0823 0.0802
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0854 0.2065 0.198
Schistosoma mansoni zinc finger protein 0.407 1 1
Echinococcus multilocularis membrane bound acyltransferase:hhat 0.0351 0.0823 0.0725
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0106 0.5
Leishmania major glycerol uptake protein, putative 0.0351 0.0823 1
Leishmania major hypothetical protein, conserved 0.0351 0.0823 1
Echinococcus multilocularis lysophospholipid acyltransferase 7 0.0351 0.0823 0.0725
Loa Loa (eye worm) diacylglycerol acyltransferase 0.0351 0.0823 0.0802
Echinococcus multilocularis zinc finger protein 0.3719 0.9135 0.9125
Toxoplasma gondii acyl-CoA:diacylglycerol acyltransferase 1-related enzyme 0.0351 0.0823 1
Schistosoma mansoni sterol O-acyltransferase 1 0.0351 0.0823 0.0725
Brugia malayi MBOAT family protein 0.0351 0.0823 0.0823
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0351 0.0823 0.0725
Brugia malayi MBOAT family protein 0.0351 0.0823 0.0823
Entamoeba histolytica vacuolar protein sorting 26 0.0351 0.0823 0.5
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0351 0.0823 0.0725
Toxoplasma gondii aldehyde dehydrogenase 0.006 0.0106 0.1033
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0351 0.0823 0.0725
Brugia malayi diacylglycerol acyltransferase 0.0351 0.0823 0.0823
Treponema pallidum alginate O-acetylation protein (algI) 0.0351 0.0823 0.5
Trypanosoma cruzi glycerol uptake protein, putative 0.0351 0.0823 1

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = 5 % DNDI: Inhibition of Human African Trypanosomiasis, SBRI 427, in vitro at 2 ug.mL-1 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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