Detailed information for compound 799455

Basic information

Technical information
  • TDR Targets ID: 799455
  • Name: methyl 2-[1-(4-methylphenyl)tetrazol-5-yl]sul fanylacetate
  • MW: 264.304 | Formula: C11H12N4O2S
  • H donors: 0 H acceptors: 4 LogP: 2.35 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)CSc1nnnn1c1ccc(cc1)C
  • InChi: 1S/C11H12N4O2S/c1-8-3-5-9(6-4-8)15-11(12-13-14-15)18-7-10(16)17-2/h3-6H,7H2,1-2H3
  • InChiKey: BIPDMFDVSBKRFT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[[1-(4-methylphenyl)-5-tetrazolyl]thio]acetic acid methyl ester
  • 2-[[1-(4-methylphenyl)tetrazol-5-yl]thio]acetic acid methyl ester
  • methyl 2-[[1-(4-methylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanoate
  • ZINC00540632
  • STOCK4S-58865

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
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0977 0.305
Loa Loa (eye worm) cyclin domain-containing protein 0.0039 0.0977 0.1607
Trichomonas vaginalis cyclins, putative 0.0088 0.3042 1
Trichomonas vaginalis cyclin B3, putative 0.0039 0.0977 0.305
Loa Loa (eye worm) CMGC/CDK/CDK7 protein kinase 0.0087 0.3007 0.4943
Trichomonas vaginalis cyclin B, putative 0.0088 0.3042 1
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.0049 0.1398 0.4549
Trichomonas vaginalis cyclin B, putative 0.0088 0.3042 1
Plasmodium falciparum protein kinase 5 0.0049 0.1398 0.0466
Brugia malayi Cyclin, N-terminal domain containing protein 0.0088 0.3042 0.5001
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0108 0.3904 0.8342
Schistosoma mansoni serine/threonine protein kinase 0.0049 0.1398 0.2436
Brugia malayi glutathione reductase 0.0047 0.1317 0.2165
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0108 0.3904 0.8342
Loa Loa (eye worm) haspin protein kinase 0.0018 0.0071 0.0117
Echinococcus multilocularis cyclin b3 0.0039 0.0977 0.3181
Echinococcus granulosus cyclin dependent kinase 5 0.0049 0.1398 0.4549
Plasmodium falciparum glutathione reductase 0.0047 0.1317 0.0376
Loa Loa (eye worm) cyclin C 0.0088 0.3072 0.505
Trichomonas vaginalis cyclin B, putative 0.0039 0.0977 0.305
Giardia lamblia Kinase, CMGC CDK 0.0049 0.1398 0.4464
Echinococcus multilocularis cyclin dependent kinase 5 0.0049 0.1398 0.4549
Echinococcus multilocularis thioredoxin glutathione reductase 0.0047 0.1317 0.4287
Echinococcus multilocularis cyclin 0.0088 0.3072 1
Mycobacterium tuberculosis Probable reductase 0.0108 0.3904 0.8342
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.1251 0.2181
Loa Loa (eye worm) hypothetical protein 0.0047 0.1326 0.218
Entamoeba histolytica cyclin family protein 0.0039 0.0977 0.3213
Brugia malayi Protein kinase domain containing protein 0.0018 0.0071 0.0117
Trichomonas vaginalis cyclins, putative 0.0039 0.0977 0.305
Plasmodium falciparum thioredoxin reductase 0.0047 0.1317 0.0376
Giardia lamblia Cyclin A 0.0039 0.0977 0.305
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.1251 0.2057
Echinococcus multilocularis cyclins 0.0039 0.0977 0.3181
Loa Loa (eye worm) hypothetical protein 0.0048 0.1363 0.224
Trypanosoma cruzi cyclin, putative 0.0088 0.3042 1
Echinococcus granulosus cyclin B3 1 0.0039 0.0977 0.3181
Plasmodium vivax glutathione reductase, putative 0.0047 0.1317 0.1255
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.1251 0.2181
Echinococcus multilocularis cyclins 0.0039 0.0977 0.3181
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0049 0.1398 0.2297
Trypanosoma cruzi cytochrome P450, putative 0.002 0.014 0.0232
Trichomonas vaginalis cyclin B, putative 0.0088 0.3042 1
Loa Loa (eye worm) glutathione reductase 0.0047 0.1317 0.2165
Trichomonas vaginalis cyclin H, putative 0.007 0.2309 0.7532
Trichomonas vaginalis cyclins, putative 0.0088 0.3042 1
Echinococcus granulosus cyclin B 0.0088 0.3042 0.9903
Echinococcus multilocularis cyclin B3 1 0.0039 0.0977 0.3181
Brugia malayi Cell division protein kinase 2 0.0018 0.0071 0.0117
Trypanosoma brucei cdc2-related kinase 3 0.0049 0.1398 0.4464
Echinococcus multilocularis cyclin dependent kinase 1 0.0049 0.1398 0.4549
Echinococcus granulosus oligomeric golgi complex subunit 3 0.0088 0.3072 1
Echinococcus granulosus serine:threonine protein kinase NLK 0.0018 0.0071 0.0232
Echinococcus granulosus G2:mitotic specific cyclin B3 0.0039 0.0977 0.3181
Trypanosoma cruzi cytochrome P450, putative 0.002 0.014 0.0232
Echinococcus multilocularis cyclins 0.0039 0.0977 0.3181
Trichomonas vaginalis cyclin D, putative 0.0039 0.0977 0.305
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.012 0.4418 1
Entamoeba histolytica cyclin, putative 0.0039 0.0977 0.3213
Echinococcus multilocularis cyclin dependent kinase 7 0.0087 0.3007 0.9788
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0108 0.3904 0.8342
Echinococcus granulosus cyclin dependent kinase 1 0.0049 0.1398 0.4549
Echinococcus granulosus cyclins 0.0039 0.0977 0.3181
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.0049 0.1398 0.4464
Loa Loa (eye worm) transcription factor SMAD2 0.0119 0.4396 0.7226
Brugia malayi Thioredoxin reductase 0.0047 0.1317 0.2165
Echinococcus granulosus mitogen activated protein kinase 15 0.0018 0.0071 0.0232
Entamoeba histolytica hypothetical protein 0.007 0.2309 0.759
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.1251 0.4072
Trichomonas vaginalis CMGC family protein kinase 0.0049 0.1398 0.4464
Trypanosoma cruzi cdc2-related kinase 3 0.0049 0.1398 0.4464
Schistosoma mansoni protein kinase 0.0018 0.0071 0.0124
Loa Loa (eye worm) cytochrome P450 family protein 0.003 0.0589 0.0968
Echinococcus multilocularis Cell division cycle 2 protein kinase 0.0018 0.0071 0.0232
Entamoeba histolytica cell division protein kinase 2, putative 0.0066 0.21 0.6902
Loa Loa (eye worm) hypothetical protein 0.0088 0.3042 0.5001
Brugia malayi Cytochrome P450 family protein 0.002 0.014 0.023
Trichomonas vaginalis CMGC family protein kinase 0.0049 0.1398 0.4464
Brugia malayi Cyclin, N-terminal domain containing protein 0.0039 0.0977 0.1607
Brugia malayi cyclin-dependent kinase 7 homolog 0.0103 0.3709 0.6097
Echinococcus multilocularis G2:mitotic specific cyclin B3 0.0039 0.0977 0.3181
Leishmania major CYC2-like cyclin, putative,cyclin 6, putative 0.0088 0.3042 1
Echinococcus multilocularis serine:threonine protein kinase NLK 0.0018 0.0071 0.0232
Trypanosoma cruzi cyclin 6, putative 0.0088 0.3042 1
Loa Loa (eye worm) cytochrome P450 family protein 0.002 0.014 0.023
Echinococcus multilocularis cyclins 0.0039 0.0977 0.3181
Schistosoma mansoni cyclins 0.0039 0.0977 0.1704
Schistosoma mansoni serine/threonine protein kinase 0.0049 0.1398 0.2436
Echinococcus multilocularis oligomeric golgi complex subunit 3 0.0088 0.3072 1
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.0049 0.1398 0.4464
Giardia lamblia Kinase, CMGC CDK 0.0049 0.1398 0.4464
Plasmodium vivax cyclin dependent kinase 7 (cdk7), putative 0.025 1 1
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.0049 0.1398 0.1104
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.1251 0.2057
Echinococcus granulosus cyclin 0.0088 0.3072 1
Trypanosoma cruzi CYC2-like cyclin, putative 0.0088 0.3042 1
Loa Loa (eye worm) CYP4Cod1 0.002 0.014 0.023
Trypanosoma brucei cdc2-related kinase 1 0.0049 0.1398 0.4464
Giardia lamblia G2/mitotic-specific cyclin B 0.0088 0.3042 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.012 0.4418 1
Trichomonas vaginalis cyclin A, putative 0.0088 0.3042 1
Trypanosoma brucei cytochrome P450, putative 0.002 0.014 0.0232
Plasmodium vivax thioredoxin reductase, putative 0.0047 0.1317 0.1255
Echinococcus granulosus cyclins 0.0039 0.0977 0.3181
Brugia malayi cell division control protein 2 homolog 0.0049 0.1398 0.2297
Trichomonas vaginalis cyclins, putative 0.0088 0.3042 1
Schistosoma mansoni cyclin B 0.0088 0.3042 0.5303
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0049 0.1398 0.2297
Loa Loa (eye worm) hypothetical protein 0.0088 0.3042 0.5001
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.1251 0.2181
Schistosoma mansoni serine/threonine protein kinase 0.0087 0.3007 0.5241
Trichomonas vaginalis cyclins, putative 0.0061 0.1922 0.6231
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.1251 0.4072
Loa Loa (eye worm) MH2 domain-containing protein 0.0119 0.4396 0.7226
Echinococcus multilocularis cyclins 0.0039 0.0977 0.3181
Plasmodium vivax protein kinase Crk2 0.0049 0.1398 0.1336
Brugia malayi Cytochrome P450 family protein 0.002 0.014 0.023
Leishmania major cytochrome p450-like protein 0.002 0.014 0.0232
Echinococcus multilocularis cyclins 0.0039 0.0977 0.3181
Brugia malayi Cytochrome P450 family protein 0.003 0.0589 0.0968
Echinococcus granulosus cyclins 0.0039 0.0977 0.3181
Trichomonas vaginalis cyclin B, putative 0.0088 0.3042 1
Loa Loa (eye worm) thioredoxin reductase 0.0047 0.1317 0.2165
Brugia malayi MH2 domain containing protein 0.0119 0.4396 0.7226
Entamoeba histolytica cyclin, putative 0.0088 0.3042 1
Loa Loa (eye worm) cytochrome P450 family protein 0.002 0.014 0.023
Brugia malayi Cyclin C 0.0088 0.3072 0.505
Echinococcus multilocularis cyclin dependent kinase 9 0.0018 0.0071 0.0232
Trypanosoma cruzi trypanothione reductase, putative 0.0047 0.1317 0.4193
Loa Loa (eye worm) AGC/PDK1 protein kinase 0.0018 0.0071 0.0117
Toxoplasma gondii thioredoxin reductase 0.0047 0.1317 0.1013
Trypanosoma cruzi cyclin, putative 0.0088 0.3042 1
Trypanosoma brucei mitotic cyclin 6 0.0088 0.3042 1
Leishmania major cyclin 0.0088 0.3042 1
Echinococcus granulosus cyclins 0.0039 0.0977 0.3181
Brugia malayi Cyclin, N-terminal domain containing protein 0.0088 0.3042 0.5001
Echinococcus granulosus cyclin dependent kinase 9 0.0018 0.0071 0.0232
Mycobacterium tuberculosis Probable oxidoreductase 0.012 0.4418 1
Echinococcus granulosus cyclins 0.0039 0.0977 0.3181
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0049 0.1398 0.2297
Echinococcus granulosus Cell division cycle 2 protein kinase 0.0018 0.0071 0.0232
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.002 0.014 0.5
Trichomonas vaginalis cyclins, putative 0.0088 0.3042 1
Schistosoma mansoni serine/threonine protein kinase 0.0087 0.3007 0.5241
Trypanosoma cruzi cdc2-related kinase 1 0.0049 0.1398 0.4464
Schistosoma mansoni g1/s-specific cyclin C 0.0088 0.3072 0.5355
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0108 0.3904 0.8342
Echinococcus multilocularis cyclin dependent kinase 0.0049 0.1398 0.4549
Brugia malayi Protein kinase domain containing protein 0.0049 0.1398 0.2297
Trypanosoma cruzi cdc2-related kinase 1 0.0049 0.1398 0.4464
Toxoplasma gondii cell-cycle-associated protein kinase, putative 0.0234 0.9298 1
Onchocerca volvulus 0.0088 0.3042 0.5
Echinococcus multilocularis cyclin B 0.0088 0.3042 0.9903
Entamoeba histolytica cell division protein kinase 2, putative 0.0049 0.1398 0.4594
Trichomonas vaginalis cyclin D, putative 0.0039 0.0977 0.305
Echinococcus multilocularis cyclin dependent kinase 1 0.0049 0.1398 0.4549
Schistosoma mansoni cyclin B3 0.0039 0.0977 0.1704
Loa Loa (eye worm) CMGC/CDK/CRK7 protein kinase 0.0018 0.0071 0.0117
Schistosoma mansoni serine/threonine protein kinase 0.0018 0.0071 0.0124
Echinococcus granulosus cyclin b3 0.0039 0.0977 0.3181
Echinococcus granulosus thioredoxin glutathione reductase 0.0047 0.1317 0.4287
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.1251 0.4072
Echinococcus multilocularis cyclins 0.0039 0.0977 0.3181
Mycobacterium tuberculosis Probable dehydrogenase 0.0108 0.3904 0.8342
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.1251 0.4072
Echinococcus granulosus cyclin dependent kinase 0.0049 0.1398 0.4549
Trichomonas vaginalis CMGC family protein kinase 0.0049 0.1398 0.4464
Entamoeba histolytica cyclin family protein 0.0039 0.0977 0.3213
Schistosoma mansoni serine/threonine kinase 0.0018 0.0071 0.0124
Leishmania major trypanothione reductase 0.0047 0.1317 0.4193
Brugia malayi Cyclin, N-terminal domain containing protein 0.0159 0.6084 1
Trypanosoma cruzi cdc2-related kinase 3 0.0049 0.1398 0.4464
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.012 0.4418 1
Trypanosoma brucei trypanothione reductase 0.0047 0.1317 0.4193
Echinococcus granulosus cyclin dependent kinase 7 0.0087 0.3007 0.9788
Giardia lamblia Hypothetical protein 0.0039 0.0977 0.305
Entamoeba histolytica protein kinase domain containing protein 0.0018 0.0071 0.0234
Loa Loa (eye worm) cyclin domain-containing protein 0.0159 0.6084 1

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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