Detailed information for compound 1271345

Basic information

Technical information
  • TDR Targets ID: 1271345
  • Name: N-(2-methoxy-5-methylphenyl)-2-(tetrazol-1-yl )acetamide
  • MW: 247.253 | Formula: C11H13N5O2
  • H donors: 1 H acceptors: 4 LogP: 0.9 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1NC(=O)Cn1cnnn1)C
  • InChi: 1S/C11H13N5O2/c1-8-3-4-10(18-2)9(5-8)13-11(17)6-16-7-12-14-15-16/h3-5,7H,6H2,1-2H3,(H,13,17)
  • InChiKey: MRRXGLUWSLHNOO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(2-methoxy-5-methyl-phenyl)-2-(tetrazol-1-yl)acetamide
  • N-(2-methoxy-5-methylphenyl)-2-(1-tetrazolyl)acetamide
  • N-(2-methoxy-5-methyl-phenyl)-2-(1,2,3,4-tetrazol-1-yl)ethanamide
  • MLS001007749
  • SMR000384927
  • T5301542

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 neuroglian 0.0016 0.0052 0.0062
Loa Loa (eye worm) thioredoxin reductase 0.0084 0.1523 0.174
Loa Loa (eye worm) hypothetical protein 0.0016 0.0052 0.006
Echinococcus granulosus jumonji domain containing protein 0.0041 0.06 0.0711
Echinococcus multilocularis roundabout 2 0.0016 0.0052 0.0062
Schistosoma mansoni hypothetical protein 0.0016 0.0042 0.005
Loa Loa (eye worm) hypothetical protein 0.003 0.0347 0.0396
Echinococcus multilocularis lysine specific demethylase 5A 0.0036 0.0484 0.0573
Toxoplasma gondii PHD-finger domain-containing protein 0.003 0.0348 0.0111
Onchocerca volvulus Basement membrane proteoglycan homolog 0.0016 0.0052 0.0007
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.006 0.1015 0.1202
Brugia malayi Immunoglobulin I-set domain containing protein 0.0016 0.0052 0.006
Brugia malayi Immunoglobulin I-set domain containing protein 0.04 0.8366 0.9559
Toxoplasma gondii PHD-finger domain-containing protein 0.003 0.0348 0.0111
Loa Loa (eye worm) hypothetical protein 0.0016 0.0052 0.006
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0042 0.005
Onchocerca volvulus Alhambra homolog 0.003 0.0348 0.0304
Mycobacterium tuberculosis Probable oxidoreductase 0.0213 0.4313 1
Echinococcus granulosus contactin 0.0016 0.0052 0.0062
Schistosoma mansoni jumonji domain containing protein 0.0077 0.1378 0.1633
Echinococcus granulosus neuroglian 0.0016 0.0052 0.0062
Onchocerca volvulus 0.006 0.1015 0.0974
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.077 0.088
Plasmodium falciparum phd finger protein, putative 0.003 0.0348 0.0111
Echinococcus multilocularis neurotracting:lsamp:neurotrimin:obcam 0.0016 0.0052 0.0062
Loa Loa (eye worm) hypothetical protein 0.0034 0.0433 0.0495
Plasmodium vivax thioredoxin reductase, putative 0.0084 0.1523 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0042 0.005
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.077 0.088
Brugia malayi Immunoglobulin I-set domain containing protein 0.0016 0.0052 0.006
Echinococcus multilocularis peroxidasin 0.0016 0.0052 0.0062
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.006 0.1015 0.1202
Loa Loa (eye worm) inward rectifying k channel family protein 1 0.0167 0.333 0.3805
Schistosoma mansoni roundabout 0.0016 0.0052 0.0062
Schistosoma mansoni cell adhesion molecule 0.0016 0.0052 0.0062
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0029 0.0335 0.5
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0016 0.0052 0.006
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0213 0.4313 1
Schistosoma mansoni cell adhesion molecule 0.0018 0.0096 0.0114
Treponema pallidum NADH oxidase 0.0029 0.0335 0.5
Loa Loa (eye worm) jmjC domain-containing protein 0.0061 0.1033 0.118
Toxoplasma gondii thioredoxin reductase 0.0084 0.1523 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0016 0.0052 0.006
Schistosoma mansoni neurotracting/lsamp/neurotrimin/obcam related cell adhesion molecule 0.0016 0.0052 0.0062
Giardia lamblia PHD finger protein 15 0.003 0.0348 1
Schistosoma mansoni hypothetical protein 0.003 0.0348 0.0413
Echinococcus multilocularis tyrosine protein kinase transmembrane receptor 0.0016 0.0045 0.0054
Schistosoma mansoni neuroglian 0.0016 0.0052 0.0062
Brugia malayi jmjC domain containing protein 0.0038 0.0519 0.0593
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0021 0.0168 0.0192
Loa Loa (eye worm) hypothetical protein 0.0016 0.0052 0.006
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.077 0.088
Brugia malayi Prion-like- 0.0016 0.0052 0.006
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0042 0.005
Loa Loa (eye worm) hypothetical protein 0.0016 0.0052 0.006
Loa Loa (eye worm) hypothetical protein 0.0016 0.0052 0.006
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0029 0.0335 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.006 0.1015 0.1202
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0016 0.0052 0.0062
Brugia malayi Peroxidasin 0.0016 0.0052 0.006
Brugia malayi Immunoglobulin I-set domain containing protein 0.0016 0.0052 0.006
Echinococcus granulosus tyrosine protein kinase transmembrane receptor 0.0016 0.0045 0.0054
Echinococcus multilocularis jumonji domain containing protein 0.0041 0.06 0.0711
Brugia malayi PHD-finger family protein 0.003 0.0348 0.0398
Echinococcus granulosus neuroglian 0.0025 0.0251 0.0297
Echinococcus granulosus geminin 0.0173 0.3442 0.4079
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0213 0.4313 1
Brugia malayi Bromodomain containing protein 0.003 0.0348 0.0398
Echinococcus granulosus GPCR family 2 0.0016 0.0042 0.005
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0029 0.0335 0.0397
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0097 0.1811 0.2146
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.006 0.1015 0.5721
Echinococcus multilocularis peregrin 0.003 0.0348 0.0413
Echinococcus granulosus basic fibroblast growth factor receptor 1 A 0.0388 0.8116 0.9617
Echinococcus multilocularis PHD finger protein rhinoceros 0.003 0.0348 0.0413
Schistosoma mansoni hypothetical protein 0.0034 0.0433 0.0513
Loa Loa (eye worm) hypothetical protein 0.0016 0.0052 0.006
Brugia malayi Immunoglobulin I-set domain containing protein 0.0016 0.0052 0.006
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.003 0.0348 0.0413
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0029 0.0335 0.0397
Echinococcus granulosus cpg binding protein 0.003 0.0354 0.0419
Plasmodium falciparum glutathione reductase 0.0084 0.1523 1
Schistosoma mansoni septate junction protein 0.0016 0.0052 0.0062
Brugia malayi Immunoglobulin I-set domain containing protein 0.0016 0.0052 0.006
Echinococcus granulosus fibroblast growth factor receptor 4 0.0388 0.8116 0.9617
Brugia malayi Immunoglobulin I-set domain containing protein 0.0022 0.0185 0.0212
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0016 0.0052 0.006
Brugia malayi CXXC zinc finger family protein 0.0028 0.0319 0.0364
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0016 0.0052 0.0062
Schistosoma mansoni cpg binding protein 0.003 0.0354 0.0419
Echinococcus multilocularis basic fibroblast growth factor receptor 1 A 0.0388 0.8116 0.9617
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0021 0.0168 0.0192
Loa Loa (eye worm) TK/ROR protein kinase 0.0016 0.0045 0.0052
Schistosoma mansoni nephrin 0.0016 0.0052 0.0062
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0029 0.0335 0.5
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0016 0.0052 0.0062
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0042 0.005
Echinococcus granulosus lysine specific demethylase 5A 0.0038 0.0519 0.0615
Echinococcus multilocularis geminin 0.0173 0.3442 0.4079
Loa Loa (eye worm) PHD-finger family protein 0.003 0.0348 0.0398
Echinococcus granulosus histone lysine methyltransferase setb 0.006 0.1015 0.1202
Echinococcus multilocularis contactin neuroglian septate junction protein 0.0016 0.0052 0.0062
Brugia malayi Thioredoxin reductase 0.0084 0.1523 0.174
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0029 0.0335 0.5
Echinococcus granulosus twitchin 0.0025 0.0251 0.0297
Echinococcus multilocularis hemicentin 1 0.0016 0.0052 0.0062
Schistosoma mansoni tyrosine kinase 0.002 0.0141 0.0168
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0062 0.1054 0.1249
Loa Loa (eye worm) jmjC domain-containing protein 0.0038 0.0519 0.0593
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0191 0.3851 0.8837
Loa Loa (eye worm) hypothetical protein 0.003 0.0347 0.0396
Echinococcus multilocularis receptor type tyrosine protein phosphatase F 0.0016 0.0052 0.0062
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0191 0.3851 0.8837
Schistosoma mansoni cell adhesion molecule 0.0016 0.0052 0.0062
Echinococcus multilocularis fibroblast growth factor receptor 4 0.0388 0.8116 0.9617
Loa Loa (eye worm) hypothetical protein 0.0167 0.333 0.3805
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0016 0.0052 0.0062
Loa Loa (eye worm) hypothetical protein 0.0018 0.0096 0.011
Echinococcus granulosus tyrosine protein kinase otk 0.0016 0.0052 0.0062
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0016 0.0052 0.006
Echinococcus granulosus peregrin 0.003 0.0348 0.0413
Loa Loa (eye worm) hypothetical protein 0.0016 0.0052 0.006
Schistosoma mansoni hypothetical protein 0.0173 0.3442 0.4079
Schistosoma mansoni hypothetical protein 0.0016 0.0042 0.005
Schistosoma mansoni titin 0.0016 0.0052 0.0062
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.006 0.1015 0.1202
Brugia malayi Immunoglobulin I-set domain containing protein 0.0016 0.0052 0.006
Schistosoma mansoni nephrin 0.0025 0.0251 0.0297
Brugia malayi Immunoglobulin I-set domain containing protein 0.0016 0.0052 0.006
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0029 0.0335 0.5
Echinococcus granulosus roundabout 2 0.0016 0.0052 0.0062
Echinococcus multilocularis hemicentin 1 0.0016 0.0052 0.0062
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0029 0.0335 0.0397
Echinococcus granulosus hemicentin 1 0.0016 0.0052 0.0062
Schistosoma mansoni hypothetical protein 0.0403 0.8439 1
Toxoplasma gondii hypothetical protein 0.006 0.1015 0.5726
Echinococcus granulosus roundabout 2 0.0016 0.0052 0.0062
Schistosoma mansoni cell adhesion molecule 0.0016 0.0052 0.0062
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0418 0.8752 1
Loa Loa (eye worm) TK protein kinase 0.04 0.8366 0.9559
Schistosoma mansoni hypothetical protein 0.0016 0.0042 0.005
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0213 0.4313 1
Plasmodium vivax hypothetical protein, conserved 0.003 0.0348 0.0111
Schistosoma mansoni tyrosine kinase 0.0388 0.8116 0.9617
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0019 0.0116 0.0137
Onchocerca volvulus 0.0028 0.0319 0.0275
Brugia malayi Pre-SET motif family protein 0.006 0.1015 0.1159
Echinococcus multilocularis roundabout 2 0.003 0.0347 0.0411
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0016 0.0052 0.006
Echinococcus granulosus PHD finger protein rhinoceros 0.003 0.0348 0.0413
Echinococcus multilocularis thioredoxin glutathione reductase 0.0084 0.1534 0.1817
Trypanosoma brucei trypanothione reductase 0.0084 0.1523 1
Echinococcus granulosus dnaJ subfamily B 0.0403 0.8439 1
Leishmania major trypanothione reductase 0.0084 0.1523 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0084 0.1534 0.1817
Schistosoma mansoni hypothetical protein 0.0173 0.3442 0.4079
Echinococcus granulosus roundabout 2 0.003 0.0347 0.0411
Brugia malayi Pre-SET motif family protein 0.0418 0.8752 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0348 0.0398
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0097 0.1811 0.2146
Schistosoma mansoni septate junction protein 0.0016 0.0052 0.0062
Brugia malayi Immunoglobulin I-set domain containing protein 0.0016 0.0052 0.006
Loa Loa (eye worm) hypothetical protein 0.006 0.1015 0.116
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0433 0.0495
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0029 0.0335 0.0383
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0042 0.0048
Brugia malayi jmjC domain containing protein 0.0097 0.1811 0.2069
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0029 0.0335 0.5
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0042 0.0048
Echinococcus granulosus peroxidasin 0.0016 0.0052 0.0062
Schistosoma mansoni jumonji/arid domain-containing protein 0.0038 0.0519 0.0615
Schistosoma mansoni cpg binding protein 0.003 0.0354 0.0419
Trypanosoma cruzi trypanothione reductase, putative 0.0084 0.1523 1
Brugia malayi F/Y-rich N-terminus family protein 0.0021 0.0151 0.0172
Echinococcus granulosus lachesin 0.0016 0.0052 0.0062
Loa Loa (eye worm) hypothetical protein 0.0016 0.0042 0.0048
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0319 0.0364
Loa Loa (eye worm) hypothetical protein 0.0049 0.077 0.088
Schistosoma mansoni jumonji/arid domain-containing protein 0.0038 0.0519 0.0615
Plasmodium vivax glutathione reductase, putative 0.0084 0.1523 1
Schistosoma mansoni cpg binding protein 0.0028 0.0319 0.0378
Echinococcus multilocularis cpg binding protein 0.003 0.0354 0.0419
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0042 0.0048
Echinococcus multilocularis GPCR, family 2 0.0016 0.0042 0.005
Echinococcus multilocularis tyrosine protein kinase otk 0.0016 0.0052 0.0062
Echinococcus multilocularis dnaJ subfamily B 0.0403 0.8439 1
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0022 0.0185 0.0212
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0018 0.0096 0.0114
Loa Loa (eye worm) hypothetical protein 0.006 0.1015 0.1159
Loa Loa (eye worm) hypothetical protein 0.006 0.1015 0.116
Plasmodium vivax SET domain protein, putative 0.006 0.1015 0.5721
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0058 0.0953 0.113
Echinococcus multilocularis neuroglian 0.0025 0.0251 0.0297
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0191 0.3851 0.8837
Echinococcus multilocularis roundabout 2 0.0016 0.0052 0.0062
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0084 0.1523 0.2985
Schistosoma mansoni hypothetical protein 0.0016 0.0042 0.005
Plasmodium falciparum thioredoxin reductase 0.0084 0.1523 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.0808 0.0923
Mycobacterium tuberculosis Probable reductase 0.0191 0.3851 0.8837
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.006 0.1015 0.1202
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0191 0.3851 0.8837
Mycobacterium tuberculosis Probable dehydrogenase 0.0191 0.3851 0.8837
Loa Loa (eye worm) glutathione reductase 0.0084 0.1523 0.174
Loa Loa (eye worm) hypothetical protein 0.0016 0.0052 0.006
Toxoplasma gondii histone lysine methyltransferase SET1 0.0056 0.0915 0.4881
Brugia malayi glutathione reductase 0.0084 0.1523 0.174
Trichomonas vaginalis set domain proteins, putative 0.0475 1 1
Echinococcus multilocularis lachesin 0.0016 0.0052 0.0062
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.006 0.1015 0.1202

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.1122 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 11.6891 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) = 100 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
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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