Detailed information for compound 289456

Basic information

Technical information
  • TDR Targets ID: 289456
  • Name: 5,7-dihydroxy-2-phenyl-6-(propylamino)chromen -4-one
  • MW: 311.332 | Formula: C18H17NO4
  • H donors: 3 H acceptors: 3 LogP: 3.9 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCNc1c(O)cc2c(c1O)c(=O)cc(o2)c1ccccc1
  • InChi: 1S/C18H17NO4/c1-2-8-19-17-13(21)10-15-16(18(17)22)12(20)9-14(23-15)11-6-4-3-5-7-11/h3-7,9-10,19,21-22H,2,8H2,1H3
  • InChiKey: YNQZPYWDHUHMMK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5,7-dihydroxy-2-phenyl-6-(propylamino)-1-benzopyran-4-one
  • 5,7-dihydroxy-2-phenyl-6-(propylamino)chromone
  • 5,7-dihydroxy-2-phenyl-6-propylaminochromen-4-one
  • 5,7-dihydroxy-2-phenyl-6-propylamino-chromen-4-one
  • 5,7-dihydroxy-2-phenyl-6-propylamino-4-chromenone
  • 5,7-dihydroxy-2-phenyl-6-propylamino-chromone

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
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.0937 0.0315 0.5
Chlamydia trachomatis oxoacyl-ACP synthase III 0.0664 0 0.5
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.9335 1 1
Trypanosoma brucei prolyl endopeptidase 0.1097 0.05 0.0727
Entamoeba histolytica prolyl oligopeptidase family protein 0.0859 0.0225 0.5
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.4129 0.3996 1
Trypanosoma cruzi oligopeptidase b 0.0937 0.0315 0.0238
Wolbachia endosymbiont of Brugia malayi 3-oxoacyl-ACP synthase 0.0664 0 0.5
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.9335 1 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0859 0.0225 0.5
Entamoeba histolytica prolyl oligopeptidase family protein 0.0859 0.0225 0.5
Brugia malayi prolyl oligopeptidase family protein 0.4129 0.3996 0.3857
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.0937 0.0315 1
Trypanosoma cruzi oligopeptidase B-like protein, putative 0.0937 0.0315 0.0238
Loa Loa (eye worm) prolyl oligopeptidase 0.9335 1 1
Trypanosoma cruzi prolyl endopeptidase 0.1097 0.05 0.0727
Trichomonas vaginalis conserved hypothetical protein 0.0859 0.0225 0.5
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.4129 0.3996 0.3935
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.1097 0.05 0.0404
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.4129 0.3996 1
Echinococcus multilocularis prolyl endopeptidase 0.1097 0.05 0.0404
Mycobacterium tuberculosis Probable peptidase 0.0937 0.0315 1
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.4129 0.3996 1
Trypanosoma cruzi serine peptidase, clan SC, family S9A-like protein, putative 0.0937 0.0315 0.0238
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0859 0.0225 0.5
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0859 0.0225 0.0127
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.4129 0.3996 1
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0859 0.0225 0.5
Brugia malayi prolyl oligopeptidase family protein 0.1097 0.05 0.0281
Echinococcus granulosus prolyl endopeptidase 0.1097 0.05 0.0404
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.3555 0.3335 1
Giardia lamblia Alanyl dipeptidyl peptidase 0.0859 0.0225 0.5
Brugia malayi hypothetical protein 0.2696 0.2343 0.2167
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.1097 0.05 0.0501
Entamoeba histolytica hypothetical protein, conserved 0.0859 0.0225 0.5
Mycobacterium tuberculosis Probable protease II PtrBb [second part] (oligopeptidase B) 0.0937 0.0315 1
Trypanosoma brucei prolyl oligopeptidase, putative 0.0937 0.0315 0.0238
Trypanosoma brucei oligopeptidase b 0.0937 0.0315 0.0238
Plasmodium vivax hypothetical protein, conserved 0.0859 0.0225 1
Trypanosoma cruzi oligopeptidase b 0.0937 0.0315 0.0238
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.4129 0.3996 1
Trypanosoma brucei serine peptidase, clan SC, family S9A-like protein 0.0937 0.0315 0.0238
Loa Loa (eye worm) hypothetical protein 0.1433 0.0887 0.0677
Giardia lamblia Alanyl dipeptidyl peptidase 0.0859 0.0225 0.5
Trichomonas vaginalis Clan SC, family S9, acylaminoacyl-peptidase-like serine peptidase 0.0859 0.0225 0.5
Echinococcus granulosus Dipeptidyl peptidase 9 0.4129 0.3996 0.3935
Entamoeba histolytica prolyl oligopeptidase family protein 0.0859 0.0225 0.5
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.1097 0.05 0.0404
Echinococcus multilocularis Dipeptidyl peptidase 9 0.4129 0.3996 0.3935
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.9335 1 1
Echinococcus multilocularis acylamino acid releasing enzyme 0.0859 0.0225 0.0127
Schistosoma mansoni acylaminoacyl-peptidase (S09 family) 0.0859 0.0225 0.0127
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.9335 1 1
Loa Loa (eye worm) hypothetical protein 0.2696 0.2343 0.2167
Plasmodium falciparum peptidase, putative 0.0859 0.0225 1
Echinococcus granulosus acylamino acid releasing enzyme 0.0859 0.0225 0.0127
Loa Loa (eye worm) hypothetical protein 0.1097 0.05 0.0281
Toxoplasma gondii prolyl endopeptidase 0.1097 0.05 0.0882

Activities

Activity type Activity value Assay description Source Reference
MTC (functional) = 5 uM Maximum tolerated concentration of the compound was determined in vitro against murine HT-22 hippocampal cell cultures by MTT reduction assay ChEMBL. 10782697
MTC (functional) = 100 uM Maximum tolerated concentration of the compound was determined in vitro against murine HT-22 hippocampal cell cultures by LDH assay ChEMBL. 10782697
PC50 (functional) = 5.2 uM Compound was tested in vitro for neuroprotective activity against L-homocysteic acid cytotoxicity in murine HT-22 hippocampal cell cultures by MTT reduction assay ChEMBL. 10782697
PC50 (functional) = 5.5 uM Compound was tested in vitro for neuroprotective activity against L-homocysteic acid cytotoxicity in murine HT-22 hippocampal cell cultures by LDH assay ChEMBL. 10782697
TC50 (ADMET) = 10 uM Compound was tested in vitro for intrinsic neurotoxicity against murine HT-22 hippocampal cell cultures by MTT reduction assay ChEMBL. 10782697
TC50 (ADMET) = 176 uM Compound was tested in vitro for intrinsic neurotoxicity against murine HT-22 hippocampal cell cultures by LDH assay ChEMBL. 10782697

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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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