Detailed information for compound 436297

Basic information

Technical information
  • TDR Targets ID: 436297
  • Name: 2-(3,4-dimethoxyphenyl)-2,3-dihydrochromen-4- one
  • MW: 284.307 | Formula: C17H16O4
  • H donors: 0 H acceptors: 1 LogP: 2.85 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(ccc1OC)C1CC(=O)c2c(O1)cccc2
  • InChi: 1S/C17H16O4/c1-19-15-8-7-11(9-17(15)20-2)16-10-13(18)12-5-3-4-6-14(12)21-16/h3-9,16H,10H2,1-2H3
  • InChiKey: JFIUXPGYJBPFAW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(3,4-dimethoxyphenyl)chroman-4-one
  • 2-(3,4-dimethoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one
  • 2-(3,4-dimethoxyphenyl)-4-chromanone
  • 6344-21-4
  • NSC50185
  • ST5309221
  • 2-(3,4-Dimethoxyphenyl)-2,3-dihydro-4H-chromen-4-one
  • AIDS-124760
  • AIDS124760
  • NSC 50185

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 Nuclear hormone receptor family member nhr-19 0.0015 0.022 0.0325
Loa Loa (eye worm) carboxylesterase 0.0023 0.0468 0.0691
Schistosoma mansoni thyroid hormone receptor 0.0015 0.022 0.0423
Echinococcus multilocularis acetylcholinesterase 0.0136 0.3982 0.3982
Echinococcus granulosus acetylcholinesterase 0.0136 0.3982 0.3982
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0015 0.022 0.0325
Brugia malayi laminin alpha chain 0.0024 0.0504 0.0743
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0136 0.3982 0.7667
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0015 0.022 0.0325
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0015 0.022 0.0325
Loa Loa (eye worm) hypothetical protein 0.0023 0.0468 0.0691
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0015 0.022 0.022
Echinococcus multilocularis tumor protein p63 0.0329 1 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0015 0.022 0.022
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0015 0.022 0.0325
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0015 0.022 0.0325
Loa Loa (eye worm) hypothetical protein 0.0023 0.0468 0.0691
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0015 0.022 0.0423
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0225 0.6777 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0015 0.022 0.0423
Echinococcus granulosus FTZ F1 alpha 0.0015 0.022 0.022
Onchocerca volvulus 0.0048 0.1253 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0015 0.022 0.0325
Loa Loa (eye worm) steroid hormone receptor 0.0015 0.022 0.0325
Loa Loa (eye worm) hypothetical protein 0.0015 0.022 0.0325
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0015 0.022 0.022
Brugia malayi follicle stimulating hormone receptor 0.0225 0.6777 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0468 0.0691
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0015 0.022 0.0325
Brugia malayi photoreceptor-specific nuclear receptor 0.0015 0.022 0.0325
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0015 0.022 0.0325
Loa Loa (eye worm) hypothetical protein 0.0048 0.1253 0.185
Schistosoma mansoni nuclear hormone receptor 0.0015 0.022 0.0423
Loa Loa (eye worm) carboxylesterase 0.0023 0.0468 0.0691
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0015 0.022 0.022
Echinococcus granulosus neurogenic locus notch protein 0.0024 0.0504 0.0504
Schistosoma mansoni cell polarity protein 0.0024 0.0504 0.097
Brugia malayi nuclear receptor NHR-88 0.0015 0.022 0.0325
Brugia malayi Carboxylesterase family protein 0.0136 0.3982 0.5876
Echinococcus granulosus neuroligin 0.0023 0.0468 0.0468
Onchocerca volvulus 0.0023 0.0468 0.2402
Brugia malayi Carboxylesterase family protein 0.0023 0.0468 0.0691
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0015 0.022 0.022
Loa Loa (eye worm) abnormal epIthelia family member 0.0024 0.0504 0.0743
Loa Loa (eye worm) hypothetical protein 0.0015 0.022 0.0325
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0023 0.0468 0.0901
Brugia malayi ecdysteroid receptor 0.0015 0.022 0.0325
Schistosoma mansoni BC026374 protein (S09 family) 0.0023 0.0468 0.0901
Brugia malayi Carboxylesterase family protein 0.0136 0.3982 0.5876
Echinococcus multilocularis acetylcholinesterase 0.0136 0.3982 0.3982
Echinococcus granulosus carboxylesterase 5A 0.0136 0.3982 0.3982
Brugia malayi Carboxylesterase family protein 0.0023 0.0468 0.0691
Mycobacterium ulcerans carboxylesterase, LipT 0.0023 0.0468 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0015 0.022 0.0325
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0015 0.022 0.0325
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0023 0.0468 0.5
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0023 0.0468 0.5
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0015 0.022 0.022
Loa Loa (eye worm) hypothetical protein 0.0023 0.0468 0.0691
Echinococcus multilocularis pikachurin 0.0024 0.0504 0.0504
Brugia malayi Carboxylesterase family protein 0.0023 0.0468 0.0691
Loa Loa (eye worm) hypothetical protein 0.0015 0.022 0.0325
Schistosoma mansoni laminin gamma-3 chain 0.0024 0.0504 0.097
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0015 0.022 0.0325
Loa Loa (eye worm) hypothetical protein 0.0015 0.022 0.0325
Echinococcus multilocularis geminin 0.0175 0.5194 0.5194
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0015 0.022 0.022
Echinococcus multilocularis neuroligin 0.0023 0.0468 0.0468
Schistosoma mansoni thyroid hormone receptor 0.0015 0.022 0.0423
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0015 0.022 0.0325
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0023 0.0468 0.5
Loa Loa (eye worm) hypothetical protein 0.0136 0.3982 0.5876
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0015 0.022 0.0325
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0015 0.022 0.0325
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0015 0.022 0.0325
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0015 0.022 0.0423
Echinococcus multilocularis BC026374 protein (S09 family) 0.0023 0.0468 0.0468
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0015 0.022 0.022
Echinococcus multilocularis ecdysone induced protein 78C 0.0015 0.022 0.022
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0023 0.0468 0.0468
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0015 0.022 0.0423
Brugia malayi laminin-like protein K08C7.3 precursor 0.0024 0.0504 0.0743
Schistosoma mansoni RAR-like nuclear receptor 0.0015 0.022 0.0423
Schistosoma mansoni hypothetical protein 0.0175 0.5194 1
Brugia malayi Nuclear hormone receptor-like 1 0.0015 0.022 0.0325
Brugia malayi Thrombospondin N-terminal -like domain containing protein 0.0024 0.0504 0.0743
Loa Loa (eye worm) hypothetical protein 0.0015 0.022 0.0325
Loa Loa (eye worm) hypothetical protein 0.0015 0.022 0.0325
Echinococcus granulosus geminin 0.0175 0.5194 0.5194
Echinococcus granulosus para nitrobenzyl esterase 0.0023 0.0468 0.0468
Loa Loa (eye worm) hypothetical protein 0.0024 0.0504 0.0743
Echinococcus granulosus slit 2 protein 0.0024 0.0504 0.0504
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0015 0.022 0.022
Schistosoma mansoni neuroligin 3 (S09 family) 0.0023 0.0468 0.0901
Brugia malayi nuclear hormone receptor 0.0015 0.022 0.0325
Mycobacterium tuberculosis Carboxylesterase LipT 0.0023 0.0468 0.5
Echinococcus granulosus pikachurin 0.0024 0.0504 0.0504
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0015 0.022 0.022
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0015 0.022 0.0325
Brugia malayi Carboxylesterase family protein 0.0023 0.0468 0.0691
Loa Loa (eye worm) hypothetical protein 0.0023 0.0468 0.0691
Loa Loa (eye worm) acetylcholinesterase 1 0.0136 0.3982 0.5876
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0015 0.022 0.022
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0015 0.022 0.0423
Loa Loa (eye worm) hypothetical protein 0.0136 0.3982 0.5876
Loa Loa (eye worm) hypothetical protein 0.0015 0.022 0.0325
Loa Loa (eye worm) hypothetical protein 0.0024 0.0504 0.0743
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0015 0.022 0.0423
Loa Loa (eye worm) hypothetical protein 0.0023 0.0468 0.0691
Echinococcus granulosus BC026374 protein S09 family 0.0023 0.0468 0.0468
Loa Loa (eye worm) hypothetical protein 0.0015 0.022 0.0325
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0015 0.022 0.022
Loa Loa (eye worm) carboxylesterase 0.0136 0.3982 0.5876
Echinococcus multilocularis slit 2 protein 0.0024 0.0504 0.0504
Schistosoma mansoni acetylcholinesterase 0.0023 0.0468 0.0901
Onchocerca volvulus 0.0023 0.0468 0.2402
Onchocerca volvulus 0.0023 0.0468 0.2402
Echinococcus multilocularis carboxylesterase 5A 0.0136 0.3982 0.3982
Schistosoma mansoni hypothetical protein 0.0175 0.5194 1
Schistosoma mansoni gliotactin 0.0023 0.0468 0.0901
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0023 0.0468 0.0901
Schistosoma mansoni slit 0.0024 0.0504 0.097
Brugia malayi hypothetical protein 0.0023 0.0468 0.0691
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0015 0.022 0.022
Schistosoma mansoni cellular tumor antigen P53 0.0048 0.1253 0.2413
Echinococcus multilocularis neurogenic locus notch protein 0.0024 0.0504 0.0504
Loa Loa (eye worm) hypothetical protein 0.0023 0.0468 0.0691
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0015 0.022 0.0423
Onchocerca volvulus 0.0023 0.0468 0.2402
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0015 0.022 0.0325
Schistosoma mansoni retinoic acid receptor RXR 0.0015 0.022 0.0423
Echinococcus granulosus acetylcholinesterase 0.0136 0.3982 0.3982
Brugia malayi steroid hormone receptor 0.0015 0.022 0.0325
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0023 0.0468 0.0901
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0023 0.0468 0.0468
Schistosoma mansoni chondroitin sulfate proteoglycan-related 0.0024 0.0504 0.097
Echinococcus granulosus ecdysone induced protein 78C 0.0015 0.022 0.022
Echinococcus multilocularis thyroid hormone receptor alpha 0.0015 0.022 0.022
Schistosoma mansoni coup transcription factor 0.0015 0.022 0.0423
Onchocerca volvulus 0.0023 0.0468 0.2402
Brugia malayi EGF-like domain containing protein 0.0024 0.0504 0.0743
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0015 0.022 0.0325
Brugia malayi Steroid receptor seven-up type 2 0.0015 0.022 0.0325
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0015 0.022 0.0325
Trichomonas vaginalis spcc417.12 protein, putative 0.0023 0.0468 0.5
Echinococcus multilocularis para nitrobenzyl esterase 0.0023 0.0468 0.0468
Echinococcus multilocularis FTZ F1 alpha 0.0015 0.022 0.022
Loa Loa (eye worm) hypothetical protein 0.0024 0.0504 0.0743

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 68 % Cytotoxicity against human HT29 cells ATCC HTB38 in aerobic condition assessed as survival at 100 uM by sulforhodamine assay ChEMBL. 17383189
Activity (functional) = 68 % Cytotoxicity against human HT29 cells ATCC HTB38 in aerobic condition assessed as survival at 100 uM by sulforhodamine assay ChEMBL. 17383189
Activity (functional) = 69 % Cytotoxicity against human TK10 cells in aerobic condition assessed as survival at 100 uM by sulforhodamine assay ChEMBL. 17383189
Activity (functional) = 69 % Cytotoxicity against human TK10 cells in aerobic condition assessed as survival at 100 uM by sulforhodamine assay ChEMBL. 17383189
Activity (functional) = 81 % Cytotoxicity against human MCF7 cells ATCC HTB38 in aerobic condition assessed as survival at 100 uM by sulforhodamine assay ChEMBL. 17383189
Activity (functional) = 81 % Cytotoxicity against human MCF7 cells ATCC HTB38 in aerobic condition assessed as survival at 100 uM by sulforhodamine assay ChEMBL. 17383189

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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