Detailed information for compound 1315941

Basic information

Technical information
  • TDR Targets ID: 1315941
  • Name: N-[4-methoxy-3-(tetrazol-1-yl)phenyl]-5-methy lpyrazine-2-carboxamide
  • MW: 311.299 | Formula: C14H13N7O2
  • H donors: 1 H acceptors: 6 LogP: 0.62 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1n1cnnn1)NC(=O)c1cnc(cn1)C
  • InChi: 1S/C14H13N7O2/c1-9-6-16-11(7-15-9)14(22)18-10-3-4-13(23-2)12(5-10)21-8-17-19-20-21/h3-8H,1-2H3,(H,18,22)
  • InChiKey: HZYHVMZYYJOKAC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[4-methoxy-3-(tetrazol-1-yl)phenyl]-5-methyl-pyrazine-2-carboxamide
  • N-[4-methoxy-3-(1-tetrazolyl)phenyl]-5-methyl-2-pyrazinecarboxamide
  • N-[4-methoxy-3-(tetrazol-1-yl)phenyl]-5-methyl-pyrazinamide
  • N-[4-methoxy-3-(1,2,3,4-tetrazol-1-yl)phenyl]-5-methyl-pyrazine-2-carboxamide
  • ZINC01351604
  • SMR000000809
  • ASN 09858463
  • MLS000076231
  • 5-Methyl-pyrazine-2-carboxylic acid (4-methoxy-3-tetrazol-1-yl-phenyl)-amide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens multiple endocrine neoplasia I No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Probable aminotransferase Get druggable targets OG5_128068 All targets in OG5_128068
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Candida albicans adenosylmethionine-8-amino-7-oxononanoate aminotransferase similar to that found in bacteria Get druggable targets OG5_128068 All targets in OG5_128068
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA Get druggable targets OG5_128068 All targets in OG5_128068
Mycobacterium ulcerans hypothetical protein Get druggable targets OG5_128068 All targets in OG5_128068
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Candida albicans second version of adenosylmethionine-8-amino-7-oxononanoate aminotransferase Get druggable targets OG5_128068 All targets in OG5_128068
Candida albicans adenosylmethionine-8-amino-7-oxononanoate aminotransferase similar to that found in bacteria Get druggable targets OG5_128068 All targets in OG5_128068
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Candida albicans second version of adenosylmethionine-8-amino-7-oxononanoate aminotransferase Get druggable targets OG5_128068 All targets in OG5_128068
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase Get druggable targets OG5_128068 All targets in OG5_128068
Mycobacterium leprae PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA Get druggable targets OG5_128068 All targets in OG5_128068
Trichomonas vaginalis acetylornithine aminotransferase, putative Get druggable targets OG5_128068 All targets in OG5_128068
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Mycobacterium leprae Probable 4-aminobutyrate aminotransferase GabT (GAMMA-AMINO-N-BUTYRATE TRANSAMINASE) (GABA TRANSAMINASE) (GLUTAMATE:SUCCINIC SEM Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 437 aa 397 aa 28.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Cytochrome P450 family protein 0.0025 0.0417 0.1905
Schistosoma mansoni cpg binding protein 0.0037 0.0648 0.0648
Leishmania major cytochrome p450-like protein 0.0088 0.1703 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0025 0.0417 0.1891
Echinococcus multilocularis Aminotransferase class III 0.0026 0.0432 0.036
Mycobacterium tuberculosis Probable glutamate-1-semialdehyde 2,1-aminomutase HemL (GSA) (glutamate-1-semialdehyde aminotransferase) (GSA-at) 0.0026 0.0432 0.0045
Echinococcus multilocularis 0.0025 0.0417 0.0346
Echinococcus multilocularis dnaJ subfamily B 0.0494 1 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0118 0.0044
Brugia malayi Cytochrome P450 family protein 0.0025 0.0417 0.1905
Mycobacterium ulcerans glutamate-1-semialdehyde aminotransferase 0.0026 0.0432 0.0045
Mycobacterium leprae Probable Acetylornithine aminotransferase ArgD 0.0026 0.0432 0.0045
Schistosoma mansoni hypothetical protein 0.0025 0.0417 0.0417
Echinococcus granulosus geminin 0.0205 0.4083 0.4039
Mycobacterium leprae PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA 0.0184 0.3653 1
Echinococcus granulosus Aminotransferase class III 0.0026 0.0432 0.036
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.1242 1
Echinococcus multilocularis geminin 0.0205 0.4083 0.4039
Trypanosoma brucei cytochrome P450, putative 0.0088 0.1703 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0118 0.0044
Mycobacterium leprae Probable 4-aminobutyrate aminotransferase GabT (GAMMA-AMINO-N-BUTYRATE TRANSAMINASE) (GABA TRANSAMINASE) (GLUTAMATE:SUCCINIC SEM 0.0026 0.0432 0.0045
Plasmodium falciparum ornithine aminotransferase 0.0026 0.0432 0.5
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0026 0.0432 0.0045
Mycobacterium ulcerans L-lysine aminotransferase 0.0026 0.0432 0.0045
Trypanosoma cruzi cytochrome P450, putative 0.0088 0.1703 1
Echinococcus multilocularis ornithine aminotransferase 0.0026 0.0432 0.036
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0026 0.0432 0.0045
Echinococcus granulosus cytochrome P450 2K1 0.0025 0.0417 0.0346
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.0184 0.3653 1
Trypanosoma cruzi cytochrome P450, putative 0.0088 0.1703 1
Mycobacterium tuberculosis Probable L-lysine-epsilon aminotransferase Lat (L-lysine aminotransferase) (lysine 6-aminotransferase) 0.0026 0.0432 0.0045
Onchocerca volvulus 0.0035 0.0608 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0088 0.1703 1
Schistosoma mansoni hypothetical protein 0.0205 0.4083 0.4083
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0608 0.3091
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0088 0.1703 0.3973
Schistosoma mansoni hypothetical protein 0.0205 0.4083 0.4083
Echinococcus granulosus ornithine aminotransferase 0.0026 0.0432 0.036
Loa Loa (eye worm) hypothetical protein 0.0063 0.1184 0.6725
Chlamydia trachomatis glutamate-1-semialdehyde-2,1-aminomutase 0.0026 0.0432 0.5
Mycobacterium tuberculosis Probable aminotransferase 0.0184 0.3653 1
Brugia malayi cytochrome P450 0.0025 0.0417 0.1905
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.0184 0.3653 1
Brugia malayi CXXC zinc finger family protein 0.0035 0.0608 0.3103
Loa Loa (eye worm) cytochrome P450 family protein 0.0088 0.1703 1
Mycobacterium tuberculosis Probable acetylornithine aminotransferase ArgD 0.0026 0.0432 0.0045
Mycobacterium ulcerans hypothetical protein 0.0184 0.3653 1
Schistosoma mansoni cpg binding protein 0.0037 0.0648 0.0648
Schistosoma mansoni ornithine--oxo-acid transaminase 0.0026 0.0432 0.0432
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.0184 0.3653 1
Toxoplasma gondii ornithine aminotransferase, mitochondrial precursor, putative 0.0026 0.0432 0.0177
Mycobacterium ulcerans acetylornithine aminotransferase 0.0026 0.0432 0.0045
Loa Loa (eye worm) cytochrome P450 0.0025 0.0417 0.1891
Loa Loa (eye worm) CYP4Cod1 0.0088 0.1703 1
Mycobacterium ulcerans ornithine aminotransferase RocD1 and RocD2 0.0026 0.0432 0.0045
Schistosoma mansoni hypothetical protein 0.0494 1 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0074 0.0074
Wolbachia endosymbiont of Brugia malayi acetylornithine transaminase protein 0.0026 0.0432 0.5
Mycobacterium tuberculosis Probable ornithine aminotransferase (N-terminus part) RocD1 (ornithine--oxo-acid aminotransferase) 0.0026 0.0432 0.0045
Schistosoma mansoni cytochrome P450 0.0025 0.0417 0.0417
Plasmodium vivax ornithine aminotransferase, putative 0.0026 0.0432 0.5
Mycobacterium leprae PROBABLE GLUTAMATE-1-SEMIALDEHYDE 2,1-AMINOMUTASE HEML (GSA) (GLUTAMATE-1-SEMIALDEHYDE AMINOTRANSFERASE) (GSA-AT) 0.0026 0.0432 0.0045
Brugia malayi Cytochrome P450 family protein 0.0088 0.1703 1
Echinococcus multilocularis ornithine aminotransferase 0.0026 0.0432 0.036
Echinococcus multilocularis cpg binding protein 0.0037 0.0648 0.0578
Echinococcus granulosus cpg binding protein 0.0037 0.0648 0.0578
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.1403 0.1403
Schistosoma mansoni cpg binding protein 0.0035 0.0608 0.0608
Brugia malayi 4-aminobutyrate aminotransferase, mitochondrial precursor 0.0026 0.0432 0.1997
Brugia malayi Cytochrome P450 family protein 0.0088 0.1703 1

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) 0.733 uM PubChem BioAssay. Mycobacterium tuberculosis BioA enzyme inhibitor Measured in Biochemical System Using Plate Reader - 2163-02_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 2.2387 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 9.285 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 12.5893 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 13.1154 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.