Detailed information for compound 762809

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 377.39 | Formula: C22H19NO5
  • H donors: 1 H acceptors: 2 LogP: 3.19 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)N=CC1=C(O)C(Oc2c1c1oc(=O)ccc1cc2)(C)C
  • InChi: 1S/C22H19NO5/c1-22(2)21(25)16(12-23-14-6-8-15(26-3)9-7-14)19-17(28-22)10-4-13-5-11-18(24)27-20(13)19/h4-12,25H,1-3H3
  • InChiKey: DWCSCYCBOAZLNL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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
Echinococcus multilocularis 6 phosphofructokinase 0.011 0.1959 0.1959
Schistosoma mansoni hypothetical protein 0.0292 0.6079 1
Brugia malayi phenylalanyl-tRNA synthetase, mitochondrial precursor, putative 0.0088 0.1472 0.7446
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0036 0.0304 0.0304
Brugia malayi mbt repeat family protein 0.0048 0.0572 0.272
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0527 0.0527
Schistosoma mansoni phenylalanyl-tRNA synthetase mitochondrial 0.0088 0.1472 0.2421
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0055 0.0722 0.0722
Giardia lamblia Phenylalanyl-tRNA synthetase alpha chain 0.0091 0.1552 1
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0189 0.3761 0.3761
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0189 0.3761 0.3761
Mycobacterium tuberculosis Probable phenylalanyl-tRNA synthetase, alpha chain PheS 0.0359 0.7586 1
Leishmania major ATP-dependent phosphofructokinase 0.011 0.1959 1
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.011 0.1959 1
Plasmodium falciparum phenylalanine--tRNA ligase 0.0058 0.0803 0.4637
Schistosoma mansoni 6-phosphofructokinase 0.011 0.1959 0.3222
Brugia malayi Bromodomain containing protein 0.0039 0.0358 0.1598
Onchocerca volvulus 0.0048 0.0572 0.5
Loa Loa (eye worm) mbt repeat family protein 0.0048 0.0572 0.1327
Schistosoma mansoni 6-phosphofructokinase 0.011 0.1959 0.3222
Echinococcus multilocularis neuropeptide s receptor 0.0466 1 1
Toxoplasma gondii Ferredoxin-fold anticodon binding domain-containing protein 0.0088 0.1472 0.9428
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.011 0.1959 1
Wolbachia endosymbiont of Brugia malayi phenylalanyl-tRNA synthetase subunit alpha 0.0359 0.7586 0.5
Trichomonas vaginalis phosphofructokinase, putative 0.011 0.1959 1
Loa Loa (eye worm) hypothetical protein 0.0055 0.0722 0.2265
Brugia malayi 6-phosphofructokinase 0.011 0.1959 1
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0055 0.0722 0.0722
Loa Loa (eye worm) MBCTL1 0.0055 0.0722 0.2265
Echinococcus granulosus 6 phosphofructokinase 0.011 0.1959 0.1959
Loa Loa (eye worm) hypothetical protein 0.0041 0.0414 0.0337
Loa Loa (eye worm) hypothetical protein 0.0091 0.1552 0.7457
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.006 0.0845 0.0845
Echinococcus granulosus SAM and MBT domain containing protein 0.0048 0.0572 0.0572
Echinococcus granulosus neuropeptide receptor A26 0.0466 1 1
Entamoeba histolytica phosphofructokinase, putative 0.011 0.1959 1
Brugia malayi Bromodomain containing protein 0.0076 0.1192 0.5978
Loa Loa (eye worm) hypothetical protein 0.0048 0.0572 0.1327
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.011 0.1959 1
Schistosoma mansoni sex comb on midleg homolog 0.0048 0.0572 0.0941
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0055 0.0722 0.3508
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0048 0.0572 0.5
Plasmodium vivax phenylalanine--tRNA ligase alpha subunit, putative 0.0091 0.1552 1
Trichomonas vaginalis phosphofructokinase, putative 0.011 0.1959 1
Treponema pallidum phenylalanyl-tRNA synthetase subunit alpha 0.0091 0.1552 0.7745
Echinococcus multilocularis SAM and MBT domain containing protein 0.0048 0.0572 0.0572
Schistosoma mansoni bromodomain containing protein 0.0064 0.0926 0.1523
Trichomonas vaginalis phenylalanyl-tRNA synthetase alpha chain, putative 0.0041 0.0415 0.144
Chlamydia trachomatis phenylalanine--tRNA ligase subunit alpha 0.0359 0.7586 1
Schistosoma mansoni phenylalanyl-tRNA synthetase subunit alpha 0.0041 0.0415 0.0682
Echinococcus granulosus phenylalanyl tRNA synthetase 0.0088 0.1472 0.1472
Mycobacterium ulcerans phenylalanyl-tRNA synthetase subunit alpha 0.0359 0.7586 1
Brugia malayi mbt repeat family protein 0.0048 0.0572 0.272
Loa Loa (eye worm) phosphofructokinase 0.011 0.1959 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0527 0.0527
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.011 0.1959 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.006 0.0845 0.0845
Loa Loa (eye worm) 6-phosphofructokinase 0.011 0.1959 1
Loa Loa (eye worm) hypothetical protein 0.0071 0.1095 0.46
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0527 0.0867
Entamoeba histolytica phosphofructokinase, putative 0.011 0.1959 1
Brugia malayi 6-phosphofructokinase 0.011 0.1959 1
Plasmodium falciparum phenylalanine--tRNA ligase 0.0088 0.1472 0.9428
Schistosoma mansoni sex comb on midleg homolog 0.0048 0.0572 0.0941
Toxoplasma gondii phenylalanyl-tRNA synthetase alpha chain A, putative 0.0091 0.1552 1
Echinococcus granulosus histone acetyltransferase MYST2 0.0055 0.0722 0.0722
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0036 0.0304 0.0304
Loa Loa (eye worm) 6-phosphofructokinase 0.011 0.1959 1
Plasmodium vivax phenylalanine--tRNA ligase, putative 0.0088 0.1472 0.9428
Echinococcus multilocularis polycomb protein SCMH1 0.0048 0.0572 0.0572
Entamoeba histolytica phenylalanyl-tRNA synthetase alpha subunit, putative 0.0091 0.1552 0.7745
Brugia malayi phenylalanyl (f) trna synthetase protein 1 0.0091 0.1552 0.7865
Echinococcus multilocularis neuropeptide receptor A26 0.0466 1 1
Trichomonas vaginalis phenylalanyl-tRNA synthetase alpha chain, putative 0.0091 0.1552 0.7745
Schistosoma mansoni myelin transcription factor 1 myt1 0.0055 0.0722 0.1188
Plasmodium vivax phenylalanine--tRNA ligase, putative 0.0041 0.0415 0.1859
Echinococcus granulosus phenylalanyl tRNA synthetase alpha chain B 0.0091 0.1552 0.1552
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0048 0.0572 0.0941
Loa Loa (eye worm) hypothetical protein 0.0043 0.0457 0.0608
Trichomonas vaginalis phosphofructokinase, putative 0.011 0.1959 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0527 0.0527
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0527 0.0867
Echinococcus multilocularis phenylalanyl tRNA synthetase alpha chain B 0.0091 0.1552 0.1552
Trichomonas vaginalis phosphofructokinase, putative 0.011 0.1959 1
Entamoeba histolytica phosphofructokinase, putative 0.011 0.1959 1
Brugia malayi phosphofructokinase 0.011 0.1959 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0527 0.0527
Loa Loa (eye worm) phenylalanyl-tRNA synthetase 0.0088 0.1472 0.6957
Echinococcus granulosus polycomb protein SCMH1 0.0048 0.0572 0.0572
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0527 0.2486
Plasmodium falciparum phenylalanine--tRNA ligase alpha subunit 0.0091 0.1552 1
Echinococcus multilocularis histone acetyltransferase MYST2 0.0055 0.0722 0.0722
Schistosoma mansoni phenylalanyl-tRNA synthetase subunit alpha 0.0091 0.1552 0.2553
Trichomonas vaginalis phenylalanyl-tRNA synthetase alpha chain, putative 0.0041 0.0415 0.144
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0527 0.0867
Echinococcus multilocularis phenylalanyl tRNA synthetase 0.0088 0.1472 0.1472
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0527 0.1048

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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