Detailed information for compound 784273

Basic information

Technical information
  • TDR Targets ID: 784273
  • Name: 3-butyl-4,8-dimethyl-7-(2-oxopropoxy)chromen- 2-one
  • MW: 302.365 | Formula: C18H22O4
  • H donors: 0 H acceptors: 2 LogP: 3.8 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCc1c(=O)oc2c(c1C)ccc(c2C)OCC(=O)C
  • InChi: 1S/C18H22O4/c1-5-6-7-15-12(3)14-8-9-16(21-10-11(2)19)13(4)17(14)22-18(15)20/h8-9H,5-7,10H2,1-4H3
  • InChiKey: HTOSROIQTYBIIH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 7-acetonyloxy-3-butyl-4,8-dimethyl-chromen-2-one
  • 7-acetonyloxy-3-butyl-4,8-dimethyl-2-chromenone
  • 7-acetonyloxy-3-butyl-4,8-dimethyl-coumarin
  • A2063/0086790
  • ZINC04525402

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 0.005 0.0413 0.1209
Echinococcus granulosus PHD finger protein rhinoceros 0.0029 0.0155 0.0957
Brugia malayi Bromodomain containing protein 0.0079 0.0766 0.2274
Echinococcus multilocularis voltage dependent calcium channel 0.0093 0.0948 0.0943
Brugia malayi PHD-finger family protein 0.0029 0.0148 0.0438
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0143 0.1559 0.5
Loa Loa (eye worm) voltage-dependent calcium channel beta 2a subunit 0.029 0.337 1
Loa Loa (eye worm) acetyltransferase 0.015 0.1648 0.4883
Plasmodium falciparum histone acetyltransferase GCN5 0.004 0.0287 1
Giardia lamblia Fructose-bisphosphate aldolase 0.0292 0.3405 1
Brugia malayi Bromodomain containing protein 0.0035 0.0229 0.068
Schistosoma mansoni jumonji domain containing protein 0.0076 0.0732 0.4422
Echinococcus multilocularis lysine specific demethylase 5A 0.0035 0.0231 0.0225
Toxoplasma gondii transporter, cation channel family protein 0.002 0.0037 0.0824
Loa Loa (eye worm) hypothetical protein 0.0026 0.0113 0.0318
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0023 0.0074 0.0413
Echinococcus multilocularis voltage dependent calcium channel 0.0093 0.0948 0.0943
Loa Loa (eye worm) hypothetical protein 0.0038 0.0269 0.0783
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0096 0.0975 0.0969
Schistosoma mansoni high voltage-activated calcium channel beta subunit 2 0.014 0.153 0.9277
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0036 0.0239 0.0233
Echinococcus granulosus jumonji domain containing protein 0.0041 0.0296 0.186
Schistosoma mansoni hypothetical protein 0.005 0.0416 0.2496
Schistosoma mansoni intermediate filament proteins 0.0026 0.0119 0.0688
Loa Loa (eye worm) hypothetical protein 0.0044 0.0343 0.1003
Loa Loa (eye worm) PHD-finger family protein 0.0021 0.005 0.0131
Echinococcus granulosus histone acetyltransferase KAT2B 0.0046 0.0361 0.2272
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.015 0.1648 1
Brugia malayi intermediate filament protein 0.0026 0.0119 0.0353
Loa Loa (eye worm) jmjC domain-containing protein 0.0037 0.0255 0.074
Echinococcus granulosus voltage dependent calcium channel 0.002 0.0037 0.0197
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0029 0.0155 0.091
Loa Loa (eye worm) calcium channel 0.0093 0.0948 0.2802
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0036 0.0239 0.1493
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0063 0.0577 0.3658
Schistosoma mansoni lamin 0.0026 0.0119 0.0688
Echinococcus multilocularis lamin 0.0026 0.0119 0.0113
Echinococcus multilocularis peregrin 0.0035 0.0229 0.0224
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0093 0.0948 0.0943
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0093 0.0948 0.0943
Loa Loa (eye worm) hypothetical protein 0.0026 0.0112 0.0317
Echinococcus granulosus voltage gated sodium channel Nav1 alpha subunit 0.004 0.0284 0.1783
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0046 0.0361 1
Schistosoma mansoni hypothetical protein 0.0029 0.0155 0.091
Schistosoma mansoni hypothetical protein 0.0021 0.005 0.0269
Brugia malayi Voltage-dependent L-type calcium channel beta-2 subunit 0.029 0.337 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0037 0.0092
Echinococcus granulosus voltage dependent calcium channel 0.0093 0.0948 0.6033
Loa Loa (eye worm) jmjC domain-containing protein 0.006 0.0539 0.1584
Echinococcus multilocularis jumonji domain containing protein 0.0041 0.0296 0.0291
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0023 0.0074 0.0068
Echinococcus granulosus high voltage activated calcium channel beta 0.014 0.153 0.9754
Trypanosoma brucei Voltage-dependent calcium channel subunit, putative 0.0057 0.0497 1
Onchocerca volvulus Alhambra homolog 0.0029 0.0155 1
Echinococcus granulosus voltage dependent L type calcium channel subunit|voltage dependent calcium channel 0.0093 0.0948 0.6033
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0292 0.3405 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0292 0.3405 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.0367 0.1073
Schistosoma mansoni zinc finger protein 0.0023 0.0082 0.0462
Brugia malayi jmjC domain containing protein 0.0037 0.0255 0.0756
Schistosoma mansoni lamin 0.0026 0.0119 0.0688
Echinococcus granulosus intermediate filament protein 0.0026 0.0119 0.0723
Echinococcus multilocularis lamin dm0 0.0026 0.0119 0.0113
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0292 0.3405 1
Loa Loa (eye worm) hypothetical protein 0.0093 0.0948 0.2802
Echinococcus multilocularis musashi 0.0026 0.0119 0.0113
Echinococcus granulosus zinc finger protein 0.0023 0.0082 0.0486
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0292 0.3405 1
Echinococcus granulosus lysine specific demethylase 5A 0.0037 0.0255 0.1593
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0063 0.0577 0.0572
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel alpha 1 0.0093 0.0948 0.6033
Leishmania major hypothetical protein, conserved 0.0026 0.0112 0.5
Echinococcus multilocularis PHD finger protein rhinoceros 0.0029 0.0155 0.015
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0143 0.1559 0.5
Echinococcus granulosus peregrin 0.0035 0.0229 0.143
Loa Loa (eye worm) hypothetical protein 0.0017 0.0008 0.0005
Brugia malayi acetyltransferase, GNAT family protein 0.015 0.1648 0.4892
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0292 0.3405 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0292 0.3405 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0008 0.0005
Plasmodium falciparum phd finger protein, putative 0.0029 0.0155 0.2459
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0292 0.3405 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0119 0.0336
Schistosoma mansoni jumonji/arid domain-containing protein 0.0037 0.0255 0.1515
Trypanosoma cruzi Voltage-dependent calcium channel subunit, putative 0.0057 0.0497 1
Loa Loa (eye worm) PHD-finger family protein 0.0029 0.0155 0.0444
Loa Loa (eye worm) intermediate filament protein 0.0026 0.0119 0.0336
Loa Loa (eye worm) bromodomain containing protein 0.0021 0.0058 0.0155
Echinococcus granulosus lamin 0.0026 0.0119 0.0723
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0093 0.0948 0.0943
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.0119 0.0353
Loa Loa (eye worm) hypothetical protein 0.0071 0.0669 0.1971
Echinococcus granulosus lamin dm0 0.0026 0.0119 0.0723
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0046 0.0361 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.0144 0.1568 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0096 0.0975 0.6202
Schistosoma mansoni jumonji/arid domain-containing protein 0.0037 0.0255 0.1515
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0155 0.4183
Echinococcus multilocularis sodium channel protein 0.004 0.0284 0.0279
Loa Loa (eye worm) voltage-dependent calcium channel 0.002 0.0037 0.0092
Plasmodium vivax hypothetical protein, conserved 0.0029 0.0155 0.1727
Echinococcus multilocularis high voltage activated calcium channel beta 0.014 0.153 0.1525
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.015 0.1648 0.1644
Brugia malayi PHD-finger family protein 0.0029 0.0155 0.0461
Schistosoma mansoni high voltage-activated calcium channel Cav1 0.0093 0.0948 0.5738
Schistosoma mansoni bromodomain containing protein 0.0067 0.0622 0.3748
Echinococcus multilocularis zinc finger protein 0.0023 0.0082 0.0076
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.0112 0.2969
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0143 0.1559 0.5
Treponema pallidum fructose-bisphosphate aldolase 0.0292 0.3405 0.5
Brugia malayi Bromodomain containing protein 0.0042 0.0313 0.0929
Schistosoma mansoni voltage-gated cation channel 0.0093 0.0948 0.5738
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0093 0.0948 0.0943
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.0119 0.0336
Brugia malayi hypothetical protein 0.0026 0.0112 0.0334
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0292 0.3405 1
Giardia lamblia Histone acetyltransferase GCN5 0.004 0.0287 0.0405
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0046 0.0361 1
Schistosoma mansoni high voltage-activated calcium channel Cav2A 0.0093 0.0948 0.5738
Brugia malayi Voltage-gated calcium channel, L-type, alpha subunit. C. elegans egl-19 ortholog 0.0093 0.0948 0.2814
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0292 0.3405 1
Brugia malayi jmjC domain containing protein 0.0096 0.0975 0.2892
Loa Loa (eye worm) hypothetical protein 0.0029 0.0155 0.0444
Echinococcus granulosus fetal alzheimer antigen falz 0.0023 0.0074 0.0434
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel|voltage dependent L type calcium channel subu 0.0093 0.0948 0.6033
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0292 0.3405 1
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0155 0.4183

Activities

No activities found for this compound.

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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