Detailed information for compound 1330459

Basic information

Technical information
  • TDR Targets ID: 1330459
  • Name: N-(2,4-dimethoxyphenyl)-2-[1-(3-methoxyphenyl )tetrazol-5-yl]sulfanylacetamide
  • MW: 401.44 | Formula: C18H19N5O4S
  • H donors: 1 H acceptors: 4 LogP: 2.89 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(c(c1)OC)NC(=O)CSc1nnnn1c1cccc(c1)OC
  • InChi: 1S/C18H19N5O4S/c1-25-13-6-4-5-12(9-13)23-18(20-21-22-23)28-11-17(24)19-15-8-7-14(26-2)10-16(15)27-3/h4-10H,11H2,1-3H3,(H,19,24)
  • InChiKey: FQLPSNLIFFCIJR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(2,4-dimethoxyphenyl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanyl-acetamide
  • N-(2,4-dimethoxyphenyl)-2-[[1-(3-methoxyphenyl)-5-tetrazolyl]thio]acetamide
  • N-(2,4-dimethoxyphenyl)-2-[[1-(3-methoxyphenyl)tetrazol-5-yl]thio]acetamide
  • N-(2,4-dimethoxyphenyl)-2-[[1-(3-methoxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanamide
  • BAS 04455323
  • ZINC00783272

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0248 0.0248
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0331 1 1
Entamoeba histolytica hypothetical protein 0.0025 0.0439 0.0559
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0037 0.0811 0.0811
Schistosoma mansoni hypothetical protein 0.0041 0.0938 0.0938
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0059 0.1489 0.252
Schistosoma mansoni hypothetical protein 0.0331 1 1
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0426 0.2001
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0023 0.0379 0.0379
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0023 0.0367 0.2611
Toxoplasma gondii ubiquitin-conjugating enzyme subfamily protein 0.0043 0.0991 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.002 0.0285 0.165
Brugia malayi mbt repeat family protein 0.0052 0.1266 0.2099
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0023 0.0367 0.1151
Brugia malayi N-terminal motif family protein 0.0186 0.5454 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0139 0.4005 0.4005
Brugia malayi ubiquitin conjugating enzyme protein 13 0.0043 0.0991 0.1581
Loa Loa (eye worm) RNA binding protein 0.0071 0.1874 0.1706
Loa Loa (eye worm) MH2 domain-containing protein 0.0117 0.3315 0.3177
Trypanosoma brucei importin beta-1 subunit, putative 0.0031 0.0622 0.5641
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0023 0.0367 0.0367
Loa Loa (eye worm) MBCTL1 0.0059 0.1489 0.1313
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0023 0.0367 1
Echinococcus granulosus histone acetyltransferase MYST2 0.0059 0.1489 0.1489
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0248 0.0046
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.002 0.0285 0.5
Entamoeba histolytica hypothetical protein 0.0108 0.3035 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0108 0.3035 0.3035
Loa Loa (eye worm) hypothetical protein 0.0031 0.0622 0.0429
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0139 0.4005 0.3881
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0018 0.0203 0.0203
Echinococcus granulosus tar DNA binding protein 0.0071 0.1874 0.1874
Echinococcus multilocularis zinc finger protein 0.002 0.0284 0.0284
Loa Loa (eye worm) hypothetical protein 0.0019 0.0248 0.0046
Schistosoma mansoni hypothetical protein 0.0108 0.3035 0.3035
Echinococcus granulosus ubiquitin conjugating enzyme E2 N 0.0043 0.0991 0.0991
Leishmania major GTP-binding protein, putative 0.0023 0.0367 0.2611
Plasmodium falciparum importin beta, putative 0.0031 0.0622 0.478
Loa Loa (eye worm) hypothetical protein 0.0042 0.0965 0.0779
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0059 0.1489 0.1489
Echinococcus multilocularis snurportin 1 0.0331 1 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.002 0.0285 0.5
Loa Loa (eye worm) bromodomain containing protein 0.0018 0.0222 0.002
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0037 0.0811 0.0811
Trichomonas vaginalis ran, putative 0.0023 0.0367 0.1151
Plasmodium vivax importin-beta 2, putative 0.0031 0.0622 0.478
Loa Loa (eye worm) transcription factor SMAD2 0.0117 0.3315 0.3177
Echinococcus granulosus GTP binding nuclear protein Ran 0.0023 0.0367 0.0367
Schistosoma mansoni methyl-cpg binding protein mbd 0.0018 0.0203 0.0203
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0139 0.4005 0.4005
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0.0285 0.5
Echinococcus multilocularis histone acetyltransferase MYST2 0.0059 0.1489 0.1489
Trypanosoma brucei ubiquitin-protein ligase, putative 0.0043 0.0991 1
Echinococcus granulosus fetal alzheimer antigen falz 0.0023 0.0379 0.0379
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.0285 0.5
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.0439 0.218
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0043 0.0991 1
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0043 0.0991 0.0804
Brugia malayi PHD-finger family protein 0.0026 0.0456 0.0572
Schistosoma mansoni bromodomain containing protein 0.0065 0.1692 0.1692
Schistosoma mansoni sex comb on midleg homolog 0.0052 0.1266 0.1266
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.002 0.0285 0.165
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0023 0.0367 0.0167
Loa Loa (eye worm) hypothetical protein 0.0073 0.1931 0.1765
Brugia malayi mbt repeat family protein 0.0052 0.1266 0.2099
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0426 0.3321
Loa Loa (eye worm) hypothetical protein 0.004 0.0889 0.0701
Loa Loa (eye worm) hypothetical protein 0.0052 0.1266 0.1085
Schistosoma mansoni hypothetical protein 0.0016 0.0146 0.0146
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0139 0.4005 0.4005
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0139 0.4005 0.4005
Schistosoma mansoni hypothetical protein 0.0019 0.0248 0.0248
Trichomonas vaginalis importin beta-1, putative 0.0025 0.0439 0.218
Schistosoma mansoni hypothetical protein 0.0019 0.0248 0.0248
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0208 0.6134 0.6134
Leishmania major hypothetical protein, conserved 0.0025 0.0426 0.3321
Brugia malayi RNA binding protein 0.0071 0.1874 0.3247
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0426 0.3321
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1533 0.1358
Entamoeba histolytica ubiquitin-conjugating enzyme family protein 0.0043 0.0991 0.2564
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0139 0.4005 0.4005
Loa Loa (eye worm) hypothetical protein 0.0059 0.1489 0.1313
Schistosoma mansoni tar DNA-binding protein 0.0071 0.1874 0.1874
Echinococcus multilocularis GPCR, family 2 0.0019 0.0248 0.0248
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0043 0.0991 1
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0023 0.0379 0.0379
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0285 0.0251
Schistosoma mansoni methyl-cpg binding protein mbd 0.0018 0.0203 0.0203
Schistosoma mansoni ap endonuclease 0.002 0.0285 0.0285
Brugia malayi RNA, U transporter 1 0.0088 0.2409 0.4257
Brugia malayi Bromodomain containing protein 0.004 0.0887 0.1385
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0018 0.0203 0.0203
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0023 0.0367 0.1151
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0208 0.6134 0.6134
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0285 0.0285
Brugia malayi Ubiquitin conjugating enzyme protein 13 0.0043 0.0991 0.1581
Schistosoma mansoni ran 0.0023 0.0367 0.0367
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0426 0.2001
Loa Loa (eye worm) hypothetical protein 0.0041 0.0938 0.0751
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0023 0.0367 0.2611
Schistosoma mansoni tar DNA-binding protein 0.0071 0.1874 0.1874
Leishmania major importin beta-1 subunit, putative 0.0025 0.0439 0.3471
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0938 0.1482
Echinococcus granulosus methyl CpG binding domain protein 2 0.0018 0.0203 0.0203
Schistosoma mansoni tar DNA-binding protein 0.0071 0.1874 0.1874
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0248 0.018
Trypanosoma cruzi importin beta-1 subunit, putative 0.0025 0.0439 0.3471
Schistosoma mansoni tar DNA-binding protein 0.0071 0.1874 0.1874
Echinococcus granulosus GPCR family 2 0.0019 0.0248 0.0248
Entamoeba histolytica Ran family GTPase 0.0023 0.0367 0.0295
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0043 0.0991 1
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0043 0.0991 0.0804
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0059 0.1489 0.1489
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0248 0.0248
Toxoplasma gondii HEAT repeat-containing protein 0.0031 0.0622 0.478
Brugia malayi MH2 domain containing protein 0.0117 0.3315 0.5966
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.0439 0.218
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0139 0.4005 0.7266
Loa Loa (eye worm) PHD-finger family protein 0.0021 0.0318 0.0118
Schistosoma mansoni hypothetical protein 0.0019 0.0248 0.0248
Loa Loa (eye worm) TAR-binding protein 0.0071 0.1874 0.1706
Loa Loa (eye worm) hypothetical protein 0.0186 0.5454 0.5361
Plasmodium vivax ubiquitin-conjugating enzyme E2 N, putative 0.0043 0.0991 1
Brugia malayi RNA recognition motif domain containing protein 0.0071 0.1874 0.3247
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0023 0.0367 0.0404
Loa Loa (eye worm) hypothetical protein 0.006 0.1533 0.1358
Entamoeba histolytica hypothetical protein 0.0108 0.3035 1
Entamoeba histolytica hypothetical protein 0.0108 0.3035 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0426 0.3321
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0248 0.018
Echinococcus multilocularis SAM and MBT domain containing protein 0.0052 0.1266 0.1266
Brugia malayi Importin beta-1 subunit 0.0031 0.0622 0.0887
Loa Loa (eye worm) mbt repeat family protein 0.0052 0.1266 0.1085
Entamoeba histolytica hypothetical protein 0.0108 0.3035 1
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0186 0.5454 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0018 0.0203 0.0203
Schistosoma mansoni zinc finger protein 0.0016 0.0146 0.0146
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.002 0.0285 0.165
Schistosoma mansoni ap endonuclease 0.002 0.0285 0.0285
Schistosoma mansoni hypothetical protein 0.0318 0.9582 0.9582
Echinococcus granulosus zinc finger protein 0.002 0.0284 0.0284
Plasmodium falciparum ubiquitin-conjugating enzyme E2 N, putative 0.0043 0.0991 1
Leishmania major ubiquitin-conjugating enzyme e2, putative 0.0043 0.0991 1
Brugia malayi Bromodomain containing protein 0.0077 0.2069 0.3615
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0248 0.0248
Loa Loa (eye worm) hypothetical protein 0.0044 0.1027 0.0841
Brugia malayi hypothetical protein 0.0025 0.0426 0.0517
Schistosoma mansoni transcription factor LCR-F1 0.0108 0.3035 0.3035
Brugia malayi TAR-binding protein 0.0071 0.1874 0.3247
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0018 0.0203 0.0203
Schistosoma mansoni sex comb on midleg homolog 0.0052 0.1266 0.1266
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0285 0.0085
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0052 0.1266 0.1266
Schistosoma mansoni myelin transcription factor 1 myt1 0.0059 0.1489 0.1489
Schistosoma mansoni hypothetical protein 0.0019 0.0248 0.0248
Echinococcus granulosus importin subunit beta 1 0.0031 0.0622 0.0622
Schistosoma mansoni ran 0.0023 0.0367 0.0367
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0139 0.4005 0.4005
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0285 0.0285
Echinococcus multilocularis tar DNA binding protein 0.0071 0.1874 0.1874
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.002 0.0285 0.165
Echinococcus granulosus SAM and MBT domain containing protein 0.0052 0.1266 0.1266
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0071 0.1874 0.1706
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0062 0.1576 0.1576
Schistosoma mansoni ubiquitin conjugating enzyme 13 0.0043 0.0991 0.0991
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0043 0.0991 1
Echinococcus multilocularis polycomb protein SCMH1 0.0052 0.1266 0.1266
Schistosoma mansoni zinc finger protein 0.002 0.0284 0.0284
Loa Loa (eye worm) hypothetical protein 0.0025 0.0426 0.0229
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0108 0.3035 0.3035
Schistosoma mansoni importin beta-1 0.0031 0.0622 0.0622
Echinococcus multilocularis ubiquitin conjugating enzyme E2 N 0.0043 0.0991 0.0991
Schistosoma mansoni tar DNA-binding protein 0.0071 0.1874 0.1874
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0062 0.1576 0.1576
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0426 0.2001
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0023 0.0367 0.1151
Echinococcus multilocularis importin subunit beta 1 0.0031 0.0622 0.0622
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0248 0.0248
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1533 0.2604
Echinococcus granulosus polycomb protein SCMH1 0.0052 0.1266 0.1266
Trypanosoma brucei importin beta-1 subunit, putative 0.0031 0.0622 0.5641
Brugia malayi hypothetical protein 0.0108 0.3035 0.5437
Echinococcus granulosus histone lysine methyltransferase setb 0.0018 0.0203 0.0203
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0023 0.0367 0.2611
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1533 0.2604
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0426 0.2001
Schistosoma mansoni hypothetical protein 0.0021 0.0318 0.0318
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0139 0.4005 0.4005

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 5.0119 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.1254 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 20.5962 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) 22.3872 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the Phosphatase Activity of Eya2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488939] ChEMBL. No reference

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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