Detailed information for compound 574425

Basic information

Technical information
  • TDR Targets ID: 574425
  • Name: 3-(aminomethyl)-2,5,9-trimethyl-furo[3,2-g]ch romen-7-one
  • MW: 257.284 | Formula: C15H15NO3
  • H donors: 1 H acceptors: 1 LogP: 1.85 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: NCc1c(C)oc2c1cc1c(C)cc(=O)oc1c2C
  • InChi: 1S/C15H15NO3/c1-7-4-13(17)19-14-8(2)15-11(5-10(7)14)12(6-16)9(3)18-15/h4-5H,6,16H2,1-3H3
  • InChiKey: WBIICVGYYRRURR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-(aminomethyl)-2,5,9-trimethyl-7-furo[3,2-g][1]benzopyranone
  • 3-(aminomethyl)-2,5,9-trimethylfuro[3,2-g]chromen-7-one
  • aminomethyltrioxsalen
  • 3-(aminomethyl)-2,5,9-trimethyl-7-furo[3,2-g]chromenone
  • (3H)4'-Aminomethyl-4,5',8-trimethylpsoralen
  • 3-(Aminomethyl)-2,5,9-trimethyl-7H-furo(3,2-g)(1)benzopyran-7-one
  • 3H-Amt
  • 4'-Aminomethyl-4,5',8-trimethylpsoralen
  • 3-(Aminomethyl)-2,5,9-trimethyl-7H-furo[3,2-g]chromen-7-one
  • AIDS-128619
  • AIDS128619
  • Aminomethyltrimethylpsoralen
  • {7H-Furo[3,2-g][1]benzopyran-7-one,} 3-(aminomethyl)-2,5, 9-trimethyl-, hydrochloride
  • 5-Amtp
  • 7H-Furo(3,2-g)(1)benzopyran-7-one, 3-(aminomethyl)-2,5,9-trimethyl-
  • 4′-Aminomethyl-4,5′,8-trimethylpsoralen hydrochloride
  • 4′-Aminomethyltrioxsalen hydrochloride
  • A4330_SIGMA
  • NCI60_002399
  • Aminomethylpsoralen

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 0.0177 0.5906 0.5889
Brugia malayi Glycosyl hydrolases family 31 protein 0.0043 0.0584 0.0544
Mycobacterium ulcerans hypothetical protein 0.0045 0.0662 0.5
Echinococcus multilocularis neutral alpha glucosidase AB 0.0043 0.0584 0.0544
Brugia malayi Ets-domain containing protein 0.0071 0.1694 0.1659
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0193 0.6543 0.6528
Leishmania major CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48) 0.0217 0.7499 1
Chlamydia trachomatis hypothetical protein 0.0045 0.0662 0.5
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0043 0.0584 0.8738
Echinococcus granulosus muscleblind protein 0.0177 0.5906 0.5906
Echinococcus multilocularis muscleblind protein 0.0177 0.5906 0.5889
Mycobacterium tuberculosis Conserved hypothetical protein 0.0045 0.0662 0.5
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0043 0.0043
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.0217 0.7499 1
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.0217 0.7499 1
Mycobacterium tuberculosis Probable conserved integral membrane protein 0.0045 0.0662 0.5
Toxoplasma gondii hypothetical protein 0.0045 0.0662 1
Schistosoma mansoni gabp alpha 0.0071 0.1694 0.2215
Plasmodium falciparum protease, putative 0.0045 0.0662 0.5
Treponema pallidum hypothetical protein 0.0045 0.0662 0.5
Brugia malayi CAAX amino terminal protease family protein 0.0217 0.7499 0.7488
Entamoeba histolytica CAAX amino terminal protease family 0.0045 0.0662 0.0113
Loa Loa (eye worm) hypothetical protein 0.0061 0.1287 0.1249
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0204 0.6959 0.6946
Echinococcus granulosus CAAX prenyl protease 2 0.0217 0.7499 0.7499
Loa Loa (eye worm) fli-1 protein 0.0215 0.7414 0.7403
Echinococcus multilocularis GA binding protein alpha chain 0.0071 0.1694 0.1659
Toxoplasma gondii hypothetical protein 0.0045 0.0662 1
Entamoeba histolytica CAAX amino terminal protease family 0.0045 0.0662 0.0113
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0819 0.0779
Loa Loa (eye worm) MH2 domain-containing protein 0.0117 0.3516 0.3489
Echinococcus multilocularis lysosomal alpha glucosidase 0.0193 0.6543 0.6528
Brugia malayi Fli-1 protein 0.0215 0.7414 0.7403
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0071 0.1694 0.1659
Brugia malayi Pre-SET motif family protein 0.0204 0.6959 0.6946
Schistosoma mansoni hypothetical protein 0.0033 0.0207 0.022
Mycobacterium tuberculosis Probable conserved integral membrane protein 0.0045 0.0662 0.5
Loa Loa (eye worm) hypothetical protein 0.0281 1 1
Loa Loa (eye worm) transcription factor SMAD2 0.0117 0.3516 0.3489
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0207 0.0165
Schistosoma mansoni hypothetical protein 0.0057 0.1152 0.1487
Schistosoma mansoni ets-related 0.0215 0.7414 0.9887
Echinococcus granulosus neutral alpha glucosidase AB 0.0043 0.0584 0.0584
Onchocerca volvulus 0.0112 0.3314 0.4073
Trypanosoma brucei CAAX amino terminal protease, putative 0.0217 0.7499 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0207 0.0165
Brugia malayi Glycosyl hydrolases family 31 protein 0.0193 0.6543 0.6528
Entamoeba histolytica CAAX prenyl protease family 0.0217 0.7499 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.0819 0.0779
Echinococcus multilocularis CAAX prenyl protease 2 0.0217 0.7499 0.7488
Onchocerca volvulus 0.0057 0.1152 0.1381
Loa Loa (eye worm) hypothetical protein 0.0217 0.7499 0.7488
Echinococcus multilocularis lysosomal alpha glucosidase 0.0193 0.6543 0.6528
Schistosoma mansoni survival motor neuron protein 0.0057 0.1152 0.1487
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0819 0.0779
Plasmodium vivax protease, putative 0.0045 0.0662 1
Echinococcus multilocularis muscleblind protein 1 0.0177 0.5906 0.5889
Schistosoma mansoni alpha glucosidase 0.0043 0.0584 0.0726
Echinococcus multilocularis survival motor neuron protein 1 0.0281 1 1
Trichomonas vaginalis Clan U, family U48, CaaX prenyl peptidase 2-like 0.0217 0.7499 0.9231
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0819 0.0779
Onchocerca volvulus 0.0232 0.8075 1
Mycobacterium ulcerans integral membrane protein 0.0045 0.0662 0.5
Trypanosoma cruzi CAAX prenyl protease 2, putative 0.0217 0.7499 1
Brugia malayi Muscleblind-like protein 0.0177 0.5906 0.5889
Trypanosoma cruzi peptidase with unknown catalytic mechanism (family U48) 0.0217 0.7499 1
Giardia lamblia Hypothetical protein 0.0217 0.7499 0.5
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0057 0.1152 0.1114
Brugia malayi MH2 domain containing protein 0.0117 0.3516 0.3489
Toxoplasma gondii CAAX amino terminal protease family protein 0.0045 0.0662 1
Trichomonas vaginalis set domain proteins, putative 0.0232 0.8075 1
Schistosoma mansoni alpha-glucosidase 0.0166 0.5476 0.7288
Echinococcus granulosus GA binding protein alpha chain 0.0071 0.1694 0.1694
Echinococcus granulosus lysosomal alpha glucosidase 0.0193 0.6543 0.6543
Schistosoma mansoni alpha-glucosidase 0.0166 0.5476 0.7288
Echinococcus granulosus survival motor neuron protein 1 0.0281 1 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0043 0.0584 0.0544
Brugia malayi Ets-domain containing protein 0.0071 0.1694 0.1659
Mycobacterium ulcerans hypothetical protein 0.0045 0.0662 0.5
Mycobacterium tuberculosis Probable integral membrane protein 0.0045 0.0662 0.5
Loa Loa (eye worm) hypothetical protein 0.0177 0.5906 0.5889

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

1 literature reference was collected for this gene.

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