Detailed information for compound 1436132

Basic information

Technical information
  • TDR Targets ID: 1436132
  • Name: 5,7-dimethyl-N-pyridin-3-yl-[1,2,4]triazolo[1 ,5-a]pyrimidine-2-carboxamide
  • MW: 268.274 | Formula: C13H12N6O
  • H donors: 1 H acceptors: 5 LogP: 1 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cc(C)n2c(n1)nc(n2)C(=O)Nc1cccnc1
  • InChi: 1S/C13H12N6O/c1-8-6-9(2)19-13(15-8)17-11(18-19)12(20)16-10-4-3-5-14-7-10/h3-7H,1-2H3,(H,16,20)
  • InChiKey: OQJKGDGSMXFRJL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 5,7-dimethyl-N-(3-pyridyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
  • STK340954
  • SDCCGMLS-0039832.P002
  • ZINC02883239
  • 5,7-dimethyl-N-3-pyridinyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
  • MLS000066724
  • SMR000082123

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA Starlite/ChEMBL No references
Homo sapiens thyroid stimulating hormone receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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
Mycobacterium leprae PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA 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
Candida albicans second version of adenosylmethionine-8-amino-7-oxononanoate aminotransferase Get druggable targets OG5_128068 All targets in OG5_128068
Candida albicans second version of adenosylmethionine-8-amino-7-oxononanoate aminotransferase Get druggable targets OG5_128068 All targets in OG5_128068
Loa Loa (eye worm) follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Mycobacterium tuberculosis Probable aminotransferase Get druggable targets OG5_128068 All targets in OG5_128068
Brugia malayi follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Trichomonas vaginalis acetylornithine aminotransferase, putative 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
Candida albicans adenosylmethionine-8-amino-7-oxononanoate aminotransferase similar to that found in bacteria Get druggable targets OG5_128068 All targets in OG5_128068
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
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 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0526 0.1068
Trichomonas vaginalis PIKK family atypical protein kinase 0.0016 0.017 0.0344
Brugia malayi Intermediate filament tail domain containing protein 0.0055 0.1271 0.1445
Brugia malayi cytoplasmic intermediate filament protein 0.0029 0.0548 0.0496
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0048 0.1074 1
Schistosoma mansoni hypothetical protein 0.0106 0.2719 0.2825
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0448 0.0909
Echinococcus multilocularis GPCR, family 2 0.0049 0.1104 0.0951
Toxoplasma gondii Alpha-galactosidase 0.0014 0.0112 0.0442
Brugia malayi Latrophilin receptor protein 2 0.0049 0.1104 0.1227
Loa Loa (eye worm) hypothetical protein 0.0053 0.1219 0.1565
Schistosoma mansoni inositol monophosphatase 0.0036 0.0728 0.0668
Loa Loa (eye worm) hypothetical protein 0.0066 0.159 0.2041
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0526 0.1068
Brugia malayi Voltage-gated calcium channel, T-type, alpha subunit. C. elegans cca-1 ortholog 0.0172 0.4587 0.5796
Loa Loa (eye worm) hypothetical protein 0.0049 0.1104 0.1418
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0036 0.0728 0.0612
Trichomonas vaginalis PIKK family atypical protein kinase 0.0016 0.017 0.0344
Loa Loa (eye worm) hypothetical protein 0.0106 0.2719 0.349
Schistosoma mansoni hypothetical protein 0.0049 0.1104 0.1076
Echinococcus granulosus intermediate filament protein 0.0055 0.1271 0.112
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0175 0.4673 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0448 0.0909
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0284 0.779 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.0518 0.1052
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0725 0.1472
Mycobacterium ulcerans hypothetical protein 0.0184 0.4927 1
Echinococcus multilocularis Aminotransferase class III 0.0026 0.0455 0.029
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0048 0.1074 1
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0048 0.1074 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0049 0.1104 0.0951
Echinococcus multilocularis lamin dm0 0.0055 0.1271 0.112
Trichomonas vaginalis PIKK family atypical protein kinase 0.0048 0.1074 0.2179
Echinococcus multilocularis musashi 0.0055 0.1271 0.112
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0032 0.0622 0.0374
Loa Loa (eye worm) hypothetical protein 0.0155 0.411 0.5275
Plasmodium falciparum ornithine aminotransferase 0.0026 0.0455 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0626 0.127
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0725 0.1472
Schistosoma mansoni inositol monophosphatase 0.0036 0.0728 0.0668
Loa Loa (eye worm) inositol-1 0.0036 0.0728 0.0935
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0036 0.0728 1
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0026 0.0465 0.03
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0055 0.1271 0.1631
Schistosoma mansoni cellular tumor antigen P53 0.0053 0.1219 0.12
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0038 0.0797 0.6934
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.0099 0.2528 0.2399
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0048 0.1074 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0436 0.056
Schistosoma mansoni ornithine--oxo-acid transaminase 0.0026 0.0455 0.0372
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0447 0.0907
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.0184 0.4927 1
Trichomonas vaginalis inositol monophosphatase, putative 0.0036 0.0728 0.1478
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0038 0.0797 0.6934
Trypanosoma cruzi target of rapamycin kinase 3 0.0038 0.0797 0.6934
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0725 0.1472
Plasmodium vivax ornithine aminotransferase, putative 0.0026 0.0455 0.5
Toxoplasma gondii target of rapamycin (TOR), putative 0.0036 0.0725 0.2869
Brugia malayi Inositol-1 0.0036 0.0728 0.0733
Loa Loa (eye worm) hypothetical protein 0.0172 0.4587 0.5888
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0728 0.6177
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0048 0.1074 0.092
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0155 0.411 0.5275
Schistosoma mansoni hypothetical protein 0.0049 0.1104 0.1076
Trichomonas vaginalis PIKK family atypical protein kinase 0.0038 0.0795 0.1614
Trichomonas vaginalis PIKK family atypical protein kinase 0.0038 0.0795 0.1614
Trichomonas vaginalis PIKK family atypical protein kinase 0.0038 0.0795 0.1614
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0099 0.2528 0.2618
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0448 0.0909
Trichomonas vaginalis PIKK family atypical protein kinase 0.0031 0.0596 0.1211
Trichomonas vaginalis PIKK family atypical protein kinase 0.0041 0.0875 0.1776
Trichomonas vaginalis conserved hypothetical protein 0.0167 0.4453 0.9039
Brugia malayi intermediate filament protein 0.0055 0.1271 0.1445
Echinococcus granulosus lamin dm0 0.0055 0.1271 0.112
Echinococcus granulosus Aminotransferase class III 0.0026 0.0455 0.029
Echinococcus multilocularis ornithine aminotransferase 0.0026 0.0455 0.029
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0526 0.1068
Echinococcus multilocularis Glycoside hydrolase, family 27 0.0099 0.2528 0.2399
Brugia malayi N-terminal motif family protein 0.0175 0.4673 0.591
Echinococcus granulosus GPCR family 2 0.0049 0.1104 0.0951
Trichomonas vaginalis PIKK family atypical protein kinase 0.0048 0.1074 0.2179
Echinococcus multilocularis lamin 0.0055 0.1271 0.112
Loa Loa (eye worm) phosphatidylinositol 3 0.0016 0.017 0.0218
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0728 0.6177
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0048 0.1074 0.092
Loa Loa (eye worm) latrophilin receptor protein 2 0.0049 0.1104 0.1418
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0447 0.0907
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0029 0.0548 0.0703
Loa Loa (eye worm) hypothetical protein 0.0175 0.4673 0.5999
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0728 0.6177
Trichomonas vaginalis PIKK family atypical protein kinase 0.0016 0.017 0.0344
Echinococcus multilocularis geminin 0.0339 0.9341 0.933
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0725 0.1472
Echinococcus granulosus ornithine aminotransferase 0.0026 0.0455 0.029
Loa Loa (eye worm) intermediate filament protein 0.0055 0.1271 0.1631
Mycobacterium leprae PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA 0.0184 0.4927 1
Echinococcus granulosus geminin 0.0339 0.9341 0.933
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0049 0.1104 0.0951
Trichomonas vaginalis PIKK family atypical protein kinase 0.0048 0.1074 0.2179
Onchocerca volvulus 0.0055 0.1271 0.015
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0066 0.159 0.1602
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0448 0.0909
Loa Loa (eye worm) phosphatidylinositol 3 0.0048 0.1074 0.1378
Schistosoma mansoni hypothetical protein 0.0049 0.1104 0.1076
Schistosoma mansoni hypothetical protein 0.0339 0.9341 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0038 0.0795 0.1614
Giardia lamblia GTOR 0.0048 0.1074 0.5
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0036 0.0728 0.2881
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0725 0.1472
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0447 0.0907
Trichomonas vaginalis PIKK family atypical protein kinase 0.0013 0.0078 0.0159
Toxoplasma gondii ornithine aminotransferase, mitochondrial precursor, putative 0.0026 0.0455 0.1798
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0026 0.0465 0.03
Schistosoma mansoni hypothetical protein 0.0339 0.9341 1
Chlamydia trachomatis glutamate-1-semialdehyde-2,1-aminomutase 0.0026 0.0455 0.5
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.0099 0.2528 0.2399
Brugia malayi Calcitonin receptor-like protein seb-1 0.0155 0.411 0.517
Mycobacterium tuberculosis Probable aminotransferase 0.0184 0.4927 1
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0099 0.2528 0.2618
Loa Loa (eye worm) hypothetical protein 0.0054 0.1242 0.1594
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0048 0.1074 0.1187
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0016 0.017 0.0063
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0048 0.1074 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0016 0.017 0.0344
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0066 0.159 0.1602
Brugia malayi Melibiase family protein 0.0066 0.159 0.1864
Schistosoma mansoni lamin 0.0055 0.1271 0.1256
Echinococcus granulosus inositol monophosphatase 1 0.0036 0.0728 0.0568
Trichomonas vaginalis PIKK family atypical protein kinase 0.0016 0.017 0.0344
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0099 0.2528 0.2618
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.0184 0.4927 1
Echinococcus multilocularis inositol monophosphatase 1 0.0036 0.0728 0.0568
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0155 0.411 0.517
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.0184 0.4927 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0725 0.1472
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0049 0.1104 0.0951
Schistosoma mansoni intermediate filament proteins 0.0055 0.1271 0.1256
Brugia malayi latrophilin 2 splice variant baaae 0.0106 0.2719 0.3345
Trichomonas vaginalis PIKK family atypical protein kinase 0.0038 0.0795 0.1614
Loa Loa (eye worm) hypothetical protein 0.0026 0.0465 0.0597
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0032 0.0622 0.0374
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.0518 0.1052
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0023 0.0357 0.207
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0725 0.1472
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.002 0.0278 0.1204
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0048 0.1074 0.1042
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0048 0.1074 1
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0099 0.2528 0.2618
Schistosoma mansoni lamin 0.0055 0.1271 0.1256
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0048 0.1074 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0728 0.1478
Toxoplasma gondii melibiase subfamily protein 0.0099 0.2528 1
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative 0.0066 0.159 0.3227
Loa Loa (eye worm) hypothetical protein 0.0025 0.0436 0.056
Loa Loa (eye worm) hypothetical protein 0.0055 0.1271 0.1631
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0049 0.1104 0.1227
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0048 0.1074 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0728 0.6177
Echinococcus granulosus lamin 0.0055 0.1271 0.112
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0049 0.1104 0.0951
Schistosoma mansoni hypothetical protein 0.0049 0.1104 0.1076
Echinococcus multilocularis tumor protein p63 0.0362 1 1
Echinococcus multilocularis ornithine aminotransferase 0.0026 0.0455 0.029
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0728 0.1478
Brugia malayi 4-aminobutyrate aminotransferase, mitochondrial precursor 0.0026 0.0455 0.0374
Onchocerca volvulus 0.0055 0.1271 0.015
Brugia malayi follicle stimulating hormone receptor 0.0284 0.779 1

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) 4.85 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) = 0.631 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 6.5733 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) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 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) 31.6228 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (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.

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