Detailed information for compound 251168

Basic information

Technical information
  • TDR Targets ID: 251168
  • Name: (E)-3-(4-hydroxy-2-methoxy-5-propylphenyl)-1- (4-hydroxyphenyl)prop-2-en-1-one
  • MW: 312.36 | Formula: C19H20O4
  • H donors: 2 H acceptors: 3 LogP: 4.29 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCc1cc(/C=C/C(=O)c2ccc(cc2)O)c(cc1O)OC
  • InChi: 1S/C19H20O4/c1-3-4-14-11-15(19(23-2)12-18(14)22)7-10-17(21)13-5-8-16(20)9-6-13/h5-12,20,22H,3-4H2,1-2H3/b10-7+
  • InChiKey: KCKKNKKJMQFTTG-JXMROGBWSA-N  

Network

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Synonyms

  • (E)-3-(4-hydroxy-2-methoxy-5-propyl-phenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one
  • (E)-3-(4-hydroxy-2-methoxy-5-propylphenyl)-1-(4-hydroxyphenyl)-2-propen-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
Mycobacterium ulcerans lipoprotein LpqF 0.0802 0.4579 0.4571
Echinococcus granulosus microtubule associated protein 2 0.0801 0.4568 1
Schistosoma mansoni aldehyde dehydrogenase 0.007 0.0014 0.003
Echinococcus multilocularis microtubule associated protein 2 0.0801 0.4568 1
Mycobacterium tuberculosis Probable conserved lipoprotein LpqF 0.0802 0.4579 0.4571
Mycobacterium tuberculosis Possible penicillin-binding protein 0.068 0.3819 0.381
Loa Loa (eye worm) hypothetical protein 0.0107 0.0239 1
Loa Loa (eye worm) hypothetical protein 0.0107 0.0239 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0107 0.0239 0.5
Loa Loa (eye worm) hypothetical protein 0.0107 0.0239 1
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0107 0.0239 0.0225
Loa Loa (eye worm) beta-lactamase 0.0107 0.0239 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.007 0.0014 0.003
Trypanosoma cruzi hypothetical protein, conserved 0.0107 0.0239 0.5
Trypanosoma brucei beta lactamase 0.0802 0.4579 1
Plasmodium vivax hypothetical protein, conserved 0.0107 0.0239 0.5
Loa Loa (eye worm) hypothetical protein 0.0107 0.0239 1
Mycobacterium tuberculosis Conserved protein 0.0107 0.0239 0.0225
Trichomonas vaginalis penicillin-binding protein, putative 0.0107 0.0239 0.5
Leishmania major hypothetical protein, conserved 0.0107 0.0239 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0107 0.0239 0.0225
Trichomonas vaginalis D-aminoacylase, putative 0.0107 0.0239 0.5
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.007 0.0014 0.003
Mycobacterium ulcerans class a beta-lactamase, BlaC 0.1671 1 1
Mycobacterium tuberculosis Conserved protein 0.0107 0.0239 0.0225
Trichomonas vaginalis esterase, putative 0.0107 0.0239 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0107 0.0239 0.5
Mycobacterium tuberculosis Probable hydrolase 0.0107 0.0239 0.0225
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0107 0.0239 0.0523
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0107 0.0239 0.0225
Mycobacterium leprae PROBABLE CONSERVED LIPOPROTEIN LPQF 0.0802 0.4579 1
Onchocerca volvulus 0.0107 0.0239 0.5
Mycobacterium tuberculosis Probable esterase LipL 0.0107 0.0239 0.0225
Mycobacterium ulcerans hypothetical protein 0.0107 0.0239 0.0225
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0107 0.0239 0.0225
Toxoplasma gondii ABC1 family protein 0.0107 0.0239 1
Onchocerca volvulus 0.0107 0.0239 0.5
Mycobacterium tuberculosis Conserved protein 0.0107 0.0239 0.0225
Loa Loa (eye worm) hypothetical protein 0.0107 0.0239 1
Trichomonas vaginalis D-aminoacylase, putative 0.0107 0.0239 0.5
Brugia malayi beta-lactamase family protein 0.0107 0.0239 1
Mycobacterium ulcerans beta-lactamase 0.0107 0.0239 0.0225
Mycobacterium ulcerans esterase/lipase LipP 0.0107 0.0239 0.0225
Mycobacterium ulcerans lipase LipD 0.0107 0.0239 0.0225
Schistosoma mansoni aldehyde dehydrogenase 0.007 0.0014 0.003
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0107 0.0239 1
Onchocerca volvulus 0.0107 0.0239 0.5
Mycobacterium tuberculosis Probable lipase LipE 0.0107 0.0239 0.0225
Schistosoma mansoni microtubule-associated protein tau 0.0801 0.4568 1
Mycobacterium tuberculosis Probable lipase LipD 0.0107 0.0239 0.0225
Echinococcus multilocularis beta LACTamase domain containing family member 0.0107 0.0239 0.0523
Loa Loa (eye worm) hypothetical protein 0.0107 0.0239 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0107 0.0239 0.0523
Brugia malayi beta-lactamase family protein 0.0107 0.0239 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0107 0.0239 1
Brugia malayi beta-lactamase 0.0107 0.0239 1
Trichomonas vaginalis D-aminoacylase, putative 0.0107 0.0239 0.5
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0107 0.0239 0.0523

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 26 uM Tested in vitro for anti-leishmanial activity against Leishmania donovani ChEMBL. 9822551
IC50 (functional) = 26 uM Tested in vitro for anti-leishmanial activity against Leishmania donovani ChEMBL. 9822551
IC50 (functional) = 41 uM Inhibitory activity against phytohemmagglutinin A-induced proliferation of human lymphocytes ChEMBL. 9822551

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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