Detailed information for compound 54608

Basic information

Technical information
  • TDR Targets ID: 54608
  • Name: 2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]aceti c acid
  • MW: 264.237 | Formula: C11H12N4O4
  • H donors: 1 H acceptors: 5 LogP: 1.42 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(ccc1OC)c1nnn(n1)CC(=O)O
  • InChi: 1S/C11H12N4O4/c1-18-8-4-3-7(5-9(8)19-2)11-12-14-15(13-11)6-10(16)17/h3-5H,6H2,1-2H3,(H,16,17)
  • InChiKey: XLEIQDYORCVELY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[5-(3,4-dimethoxyphenyl)-2-tetrazolyl]acetic acid
  • 2-[5-(3,4-dimethoxyphenyl)-1,2,3,4-tetrazol-2-yl]ethanoic acid
  • ASN 02255372
  • Oprea1_023108
  • Oprea1_088129
  • [5-(3,4-Dimethoxy-phenyl)-tetrazol-2-yl]-acetic acid

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
Onchocerca volvulus Cathepsin L homolog 0.0058 0.1985 0.4217
Leishmania major cathepsin L-like protease 0.0058 0.1985 0.0787
Trypanosoma cruzi cysteine protease, putative 0.0037 0.0044 0.0044
Entamoeba histolytica cysteine proteinase, putative 0.0037 0.0044 0.0094
Loa Loa (eye worm) CK1/CK1/CK1-A protein kinase 0.0088 0.4706 0.4706
Echinococcus multilocularis casein kinase I alpha 0.0088 0.4706 0.4683
Plasmodium falciparum casein kinase 1 0.0088 0.4706 1
Echinococcus multilocularis casein kinase i 0.0088 0.4706 0.4683
Plasmodium falciparum cysteine proteinase falcipain 3 0.0058 0.1985 0.4162
Onchocerca volvulus 0.0058 0.1985 0.4217
Giardia lamblia Kinase, CK1 Casein kinase 0.0088 0.4706 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0058 0.1985 0.4217
Entamoeba histolytica cysteine protease, putative 0.0037 0.0044 0.0094
Leishmania major cathepsin L-like protease 0.0058 0.1985 0.0787
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0058 0.1985 0.4162
Entamoeba histolytica cysteine proteinase 2 0.0037 0.0044 0.0094
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0058 0.1985 0.4217
Loa Loa (eye worm) ctsf protein 0.0058 0.1985 0.1985
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0058 0.1985 0.1949
Entamoeba histolytica cysteine protease, putative 0.0037 0.0044 0.0094
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0058 0.1985 0.4217
Schistosoma mansoni cathepsin F (C01 family) 0.0058 0.1985 0.1985
Plasmodium vivax vivapain-2 0.0058 0.1985 0.4162
Entamoeba histolytica cysteine protease, putative 0.0037 0.0044 0.0094
Trypanosoma cruzi casein kinase, putative 0.0088 0.4706 0.4706
Onchocerca volvulus 0.0058 0.1985 0.4217
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0056 0.1752 0.1752
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0058 0.1985 0.4217
Trypanosoma cruzi casein kinase, putative 0.0088 0.4706 0.4706
Leishmania major cathepsin L-like protease 0.0058 0.1985 0.0787
Echinococcus granulosus cathepsin L cysteine protease 0.0037 0.0044 0.0044
Loa Loa (eye worm) CK1/CK1/CK1-D protein kinase 0.0088 0.4706 0.4706
Trypanosoma cruzi cysteine peptidase, putative 0.0058 0.1985 0.1985
Trypanosoma cruzi casein kinase, putative 0.0088 0.4706 0.4706
Entamoeba histolytica cysteine proteinase, putative 0.0037 0.0044 0.0094
Echinococcus multilocularis cathepsin b 0.0145 1 1
Onchocerca volvulus 0.0088 0.4706 1
Echinococcus multilocularis casein kinase I alpha 0.0088 0.4706 0.4683
Loa Loa (eye worm) CK1/CK1/CK1-A protein kinase 0.0088 0.4706 0.4706
Echinococcus multilocularis cysteine protease 0.0058 0.1985 0.1949
Schistosoma mansoni protein kinase 0.0088 0.4706 0.4706
Brugia malayi Papain family cysteine protease containing protein 0.0058 0.1985 0.1985
Echinococcus granulosus cathepsin l cysteine peptidase 0.0058 0.1985 0.1985
Leishmania major cathepsin L-like protease 0.0058 0.1985 0.0787
Trypanosoma cruzi casein kinase, delta isoform, putative 0.0088 0.4706 0.4706
Onchocerca volvulus Cathepsin L homolog 0.0058 0.1985 0.4217
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0058 0.1985 0.1949
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0058 0.1985 0.4162
Echinococcus multilocularis cysteine protease 0.0058 0.1985 0.1949
Leishmania major cathepsin L-like protease 0.0058 0.1985 0.0787
Onchocerca volvulus 0.0086 0.4608 0.9791
Onchocerca volvulus Cathepsin F homolog 0.0058 0.1985 0.4217
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0058 0.1985 0.4217
Echinococcus granulosus casein kinase i 0.0088 0.4706 0.4706
Echinococcus multilocularis cathepsin b 0.0145 1 1
Leishmania major casein kinase, putative 0.0088 0.4706 1
Brugia malayi Cathepsin L-like precursor 0.0058 0.1985 0.1985
Trypanosoma cruzi cysteine proteinase, putative 0.0037 0.0044 0.0044
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0058 0.1985 0.4217
Leishmania major cathepsin L-like protease 0.0058 0.1985 0.0787
Entamoeba histolytica casein kinase 1, putative 0.0088 0.4706 1
Entamoeba histolytica cysteine protease, putative 0.0037 0.0044 0.0094
Brugia malayi casein kinase 1, delta 0.0088 0.4706 0.4706
Trypanosoma cruzi cruzipain precursor, putative 0.0058 0.1985 0.1985
Echinococcus granulosus cathepsin b 0.0145 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0058 0.1985 0.4217
Loa Loa (eye worm) fibroinase 0.0058 0.1985 0.1985
Trypanosoma cruzi cysteine peptidase, putative 0.0058 0.1985 0.1985
Trypanosoma cruzi cysteine peptidase, putative 0.0058 0.1985 0.1985
Loa Loa (eye worm) cysteine protease 0.0058 0.1985 0.1985
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0058 0.1985 0.4162
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0058 0.1985 0.4217
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0056 0.1752 0.1752
Echinococcus multilocularis cathepsin L cysteine protease 0.0058 0.1985 0.1949
Trichomonas vaginalis CK1 family protein kinase 0.0088 0.4706 1
Trypanosoma cruzi casein kinase, delta isoform, putative 0.0086 0.4608 0.4608
Brugia malayi Cathepsin L-like precursor 0.0058 0.1985 0.1985
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0058 0.1985 0.4217
Entamoeba histolytica cysteine protease, putative 0.0037 0.0044 0.0094
Entamoeba histolytica cysteine protease, putative 0.0037 0.0044 0.0094
Entamoeba histolytica casein kinase, putative 0.0088 0.4706 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0058 0.1985 0.4162
Trypanosoma brucei casein kinase I, isoform 2 0.0088 0.4706 1
Leishmania major cathepsin L-like protease 0.0058 0.1985 0.0787
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0058 0.1985 0.4162
Entamoeba histolytica cysteine protease, putative 0.0037 0.0044 0.0094
Trypanosoma cruzi cysteine proteinase, putative 0.0037 0.0044 0.0044
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0058 0.1985 0.4217
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0058 0.1985 0.4217
Entamoeba histolytica cysteine proteinase, putative 0.0058 0.1985 0.4217
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0058 0.1985 0.4162
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0037 0.0044 0.0044
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0058 0.1985 0.4162
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0058 0.1985 0.4162
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0058 0.1985 0.4162
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0037 0.0044 0.0094
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0145 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0037 0.0044 0.0094
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0145 1 1
Echinococcus granulosus cathepsin l1 0.0058 0.1985 0.1985
Echinococcus granulosus casein kinase I alpha 0.0088 0.4706 0.4706
Entamoeba histolytica cysteine proteinase, putative 0.0058 0.1985 0.4217
Trypanosoma brucei cysteine peptidase C (CPC) 0.0056 0.1752 0.3664
Entamoeba histolytica cysteine protease, putative 0.0037 0.0044 0.0094
Plasmodium vivax casein kinase 1, putative 0.0088 0.4706 1
Echinococcus granulosus cathepsin b 0.0145 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0058 0.1985 0.4217
Entamoeba histolytica cysteine proteinase 1, putative 0.0037 0.0044 0.0094
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0058 0.1985 0.4162
Plasmodium vivax vivapain-2 0.0058 0.1985 0.4162
Loa Loa (eye worm) hypothetical protein 0.0058 0.1985 0.1985
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0058 0.1985 0.1985
Echinococcus granulosus casein kinase I delta 0.0088 0.4706 0.4706
Echinococcus multilocularis casein kinase I alpha 0.0088 0.4706 0.4683
Echinococcus granulosus casein kinase I alpha 0.0088 0.4706 0.4706
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0037 0.0044 0.0044
Echinococcus granulosus casein kinase I alpha 0.0088 0.4706 0.4706
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0145 1 1
Entamoeba histolytica cysteine protease, putative 0.0037 0.0044 0.0094
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0058 0.1985 0.4217
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0058 0.1985 0.4217
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0145 1 1
Entamoeba histolytica cysteine protease, putative 0.0037 0.0044 0.0094
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0058 0.1985 0.4162
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0056 0.1752 0.3723
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0058 0.1985 0.4217
Echinococcus granulosus cathepsin L 0.0037 0.0044 0.0044
Entamoeba histolytica cysteine proteinase, putative 0.0037 0.0044 0.0094
Brugia malayi Cathepsin L-like precursor 0.0058 0.1985 0.1985
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0058 0.1985 0.4217
Brugia malayi Papain family cysteine protease containing protein 0.0037 0.0044 0.0044
Brugia malayi Cathepsin L-like precursor 0.0058 0.1985 0.1985
Toxoplasma gondii cathepsin CPL 0.0058 0.1985 0.0787
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0058 0.1985 0.4217
Echinococcus granulosus cathepsin L cysteine proteinase 0.0058 0.1985 0.1985
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0058 0.1985 0.4217
Leishmania major cathepsin L-like protease 0.0058 0.1985 0.0787
Onchocerca volvulus 0.0058 0.1985 0.4217
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0058 0.1985 0.4217
Loa Loa (eye worm) hypothetical protein 0.0145 1 1
Entamoeba histolytica cysteine protease, putative 0.0037 0.0044 0.0094
Echinococcus multilocularis cathepsin L cysteine protease 0.0058 0.1985 0.1949
Leishmania major cysteine peptidase A (CPA) 0.0058 0.1985 0.0787
Echinococcus multilocularis casein kinase I delta 0.0088 0.4706 0.4683
Onchocerca volvulus 0.0058 0.1985 0.4217
Brugia malayi Cathepsin L-like precursor 0.0058 0.1985 0.1985
Toxoplasma gondii casein kinase I 0.0088 0.4706 1
Trypanosoma cruzi casein kinase, putative 0.0088 0.4706 0.4706
Onchocerca volvulus 0.0058 0.1985 0.4217
Echinococcus multilocularis casein kinase I delta 0.0088 0.4706 0.4683
Trypanosoma cruzi cysteine peptidase, putative 0.0058 0.1985 0.1985
Echinococcus granulosus cysteine protease 0.0037 0.0044 0.0044
Trypanosoma cruzi casein kinase, putative 0.0088 0.4706 0.4706
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0058 0.1985 0.1985
Entamoeba histolytica cysteine protease, putative 0.0058 0.1985 0.4217
Trichomonas vaginalis CK1 family protein kinase 0.0088 0.4706 1
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0145 1 1
Entamoeba histolytica cysteine protease, putative 0.0037 0.0044 0.0094
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0058 0.1985 0.4217
Entamoeba histolytica cysteine proteinase, putative 0.0037 0.0044 0.0094
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0058 0.1985 0.4217
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0037 0.0044 0.0044
Onchocerca volvulus 0.0058 0.1985 0.4217
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0058 0.1985 0.4217
Schistosoma mansoni cathepsin F (C01 family) 0.0058 0.1985 0.1985
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0058 0.1985 0.4162
Entamoeba histolytica cysteine protease, putative 0.0037 0.0044 0.0094
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0037 0.0044 0.0044
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0058 0.1985 0.4217
Schistosoma mansoni serine/threonine protein kinase 0.0088 0.4706 0.4706
Brugia malayi Cathepsin L-like precursor 0.0058 0.1985 0.1985
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0058 0.1985 0.4217
Brugia malayi casein kinase I 0.0088 0.4706 0.4706
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0058 0.1985 0.4162
Brugia malayi Papain family cysteine protease containing protein 0.0037 0.0044 0.0044
Trypanosoma cruzi cysteine peptidase, putative 0.0037 0.0044 0.0044
Trichomonas vaginalis CK1 family protein kinase 0.0088 0.4706 1
Loa Loa (eye worm) cathepsin B 0.0056 0.1752 0.1752
Onchocerca volvulus 0.0058 0.1985 0.4217
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0058 0.1985 0.4217
Echinococcus granulosus casein kinase I delta 0.0088 0.4706 0.4706

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = 0 % In Vitro superoxide scavenging activity at a concentration of 1.0 x 10E4 M. ChEMBL. 6094808

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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