Detailed information for compound 455019

Basic information

Technical information
  • TDR Targets ID: 455019
  • Name: (E)-3-[3-[3-[di(propan-2-yl)amino]-2-hydroxyp ropoxy]phenyl]-1-phenylprop-2-en-1-one
  • MW: 381.508 | Formula: C24H31NO3
  • H donors: 1 H acceptors: 2 LogP: 4.68 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(CN(C(C)C)C(C)C)COc1cccc(c1)/C=C/C(=O)c1ccccc1
  • InChi: 1S/C24H31NO3/c1-18(2)25(19(3)4)16-22(26)17-28-23-12-8-9-20(15-23)13-14-24(27)21-10-6-5-7-11-21/h5-15,18-19,22,26H,16-17H2,1-4H3/b14-13+
  • InChiKey: XTODNPAJTHLIEA-BUHFOSPRSA-N  

Network

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Synonyms

  • (E)-3-[3-[3-(diisopropylamino)-2-hydroxy-propoxy]phenyl]-1-phenyl-prop-2-en-1-one
  • (E)-3-[3-[3-(diisopropylamino)-2-hydroxypropoxy]phenyl]-1-phenyl-2-propen-1-one
  • (E)-3-[3-[3-[di(propan-2-yl)amino]-2-hydroxy-propoxy]phenyl]-1-phenyl-prop-2-en-1-one
  • (E)-3-[3-[3-(di(propan-2-yl)amino)-2-hydroxypropoxy]phenyl]-1-phenylprop-2-en-1-one
  • (E)-3-[3-[3-(diisopropylamino)-2-hydroxypropoxy]phenyl]-1-phenylprop-2-en-1-one
  • (E)-3-[3-[3-(di(propan-2-yl)amino)-2-hydroxy-propoxy]phenyl]-1-phenyl-prop-2-en-1-one

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
Loa Loa (eye worm) hypothetical protein 0.0028 0.0487 0.0682
Plasmodium vivax hypothetical protein, conserved 0.0121 0.3198 1
Plasmodium falciparum conserved protein, unknown function 0.0121 0.3198 1
Echinococcus granulosus transcription factor btf3 0.0039 0.0801 0.0801
Entamoeba histolytica chitinase, putative 0.0076 0.1894 1
Trypanosoma cruzi transcription factor btf3, putative 0.0039 0.0801 1
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0012 0.0039 0.0039
Brugia malayi Glycosyl hydrolases family 18 protein 0.0011 0.0001 0.0001
Trypanosoma cruzi transcription factor btf3, putative 0.0039 0.0801 1
Plasmodium vivax ataxin-2 like protein, putative 0.0028 0.0487 0.152
Schistosoma mansoni hypothetical protein 0.0121 0.3198 0.3198
Loa Loa (eye worm) microfilarial chitinase 0.0074 0.1834 0.2568
Leishmania major basic transcription factor 3a, putative 0.0039 0.0801 0.2236
Schistosoma mansoni chitinase 0.0011 0.0001 0.0001
Onchocerca volvulus Putative endochitinase 0.0076 0.1894 0.5922
Trypanosoma brucei transcription factor BTF3, putative 0.0039 0.0801 1
Brugia malayi Endochitinase 0.0085 0.2161 0.3026
Onchocerca volvulus Putative endochitinase 0.0011 0.0001 0.0003
Loa Loa (eye worm) chitinase I 0.0076 0.1894 0.2651
Echinococcus granulosus Hepatocellular carcinoma associated antigen 59 0.0121 0.3198 0.3198
Brugia malayi follicle stimulating hormone receptor 0.0256 0.7142 1
Mycobacterium ulcerans chitinase/cellulase 0.0065 0.1567 1
Brugia malayi hypothetical protein 0.0011 0.0001 0.0001
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0801 1
Brugia malayi endochitinase 0.0076 0.1894 0.2651
Onchocerca volvulus Putative endochitinase 0.0076 0.1894 0.5922
Brugia malayi beta-NAC-like protein 0.0039 0.0801 0.1122
Loa Loa (eye worm) hypothetical protein 0.0011 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.0011 0.0001 0.0001
Schistosoma mansoni hypothetical protein 0.0354 1 1
Mycobacterium ulcerans chitinase/cellulase 0.0065 0.1567 1
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0012 0.0039 0.0039
Onchocerca volvulus Putative endochitinase 0.0085 0.2161 0.6759
Brugia malayi Hepatocellular carcinoma-associated antigen 59 family protein 0.0121 0.3198 0.4477
Brugia malayi hypothetical protein 0.0018 0.0199 0.0278
Echinococcus granulosus Glycoside hydrolase chitinase domain containing protein 1 0.0011 0.0001 0.0001
Onchocerca volvulus 0.0121 0.3198 1
Loa Loa (eye worm) hypothetical protein 0.0121 0.3198 0.4477
Brugia malayi hypothetical protein 0.0028 0.0487 0.0682
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0487 0.152
Schistosoma mansoni hypothetical protein 0.0022 0.0304 0.0304
Leishmania major chitinase 0.0076 0.1894 1
Toxoplasma gondii hypothetical protein 0.0121 0.3198 1
Entamoeba histolytica transcription factor BTF3, putative 0.0039 0.0801 0.4229
Onchocerca volvulus Putative endochitinase 0.0085 0.2161 0.6759
Brugia malayi Endochitinase 0.0011 0.0001 0.0001
Loa Loa (eye worm) transcription factor SMAD2 0.0132 0.3523 0.4933
Plasmodium vivax basic transcription factor 3b, putative 0.0039 0.0801 0.2504
Schistosoma mansoni hypothetical protein 0.0012 0.0039 0.0039
Echinococcus multilocularis transcription factor btf3 0.0039 0.0801 0.0801
Loa Loa (eye worm) cuticular endochitinase 0.0076 0.1894 0.2651
Echinococcus multilocularis Hepatocellular carcinoma associated antigen 59 0.0121 0.3198 0.3198
Mycobacterium tuberculosis Possible chitinase 0.0065 0.1567 0.5
Onchocerca volvulus 0.0121 0.3198 1
Plasmodium falciparum basic transcription factor 3b, putative 0.0039 0.0801 0.2504
Onchocerca volvulus Putative chitinase 0.0011 0.0001 0.0003
Echinococcus multilocularis geminin 0.0354 1 1
Echinococcus multilocularis Glycoside hydrolase, chitinase domain containing protein 1 0.0011 0.0001 0.0001
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0801 1
Loa Loa (eye worm) glycosyl hydrolase family 18 protein 0.0011 0.0001 0.0001
Brugia malayi Glycosyl hydrolases family 18 protein 0.0011 0.0001 0.0001
Brugia malayi hypothetical protein 0.0011 0.0001 0.0001
Schistosoma mansoni transcription factor btf3 0.0039 0.0801 0.0801
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0256 0.7142 1
Brugia malayi endochitinase 0.0085 0.2161 0.3026
Brugia malayi MH2 domain containing protein 0.0132 0.3523 0.4933
Schistosoma mansoni hypothetical protein 0.0354 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0801 1
Loa Loa (eye worm) ICD-1 protein 0.0039 0.0801 0.1122
Onchocerca volvulus Putative endochitinase 0.0085 0.2161 0.6759
Toxoplasma gondii NAC domain-containing protein 0.0039 0.0801 0.116
Loa Loa (eye worm) MH2 domain-containing protein 0.0132 0.3523 0.4933
Loa Loa (eye worm) hypothetical protein 0.0065 0.1567 0.2194
Entamoeba histolytica hypothetical protein 0.0039 0.0801 0.4229
Loa Loa (eye worm) hypothetical protein 0.0121 0.3198 0.4477
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0487 0.152

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 22.6 % Antihyperglycemic activity in streptozotocin induced diabetic model of Sprague-Dawley albino rat assessed as reduction in blood glucose by AUC method ChEMBL. 17095211
Activity (functional) = 26.7 % Antihyperglycemic activity in sucrose loaded model of Sprague-Dawley albino rat assessed as reduction in blood glucose by AUC method ChEMBL. 17095211

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

1 literature reference was collected for this gene.

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