Detailed information for compound 723118

Basic information

Technical information
  • TDR Targets ID: 723118
  • Name: (2-ethoxy-3-methoxy-benzyl)-(1-propyltetrazol -5-yl)amine
  • MW: 291.349 | Formula: C14H21N5O2
  • H donors: 1 H acceptors: 3 LogP: 2.51 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1c(cccc1OC)CNc1nnnn1CCC
  • InChi: 1S/C14H21N5O2/c1-4-9-19-14(16-17-18-19)15-10-11-7-6-8-12(20-3)13(11)21-5-2/h6-8H,4-5,9-10H2,1-3H3,(H,15,16,18)
  • InChiKey: IEVYBJISZVKTOQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (2-Ethoxy-3-methoxy-benzyl)-(1-propyl-1H-tetrazol-5-yl)-amine
  • AN-465/42888773
  • BAS 12418485
  • MLS001208506
  • N-(2-ethoxy-3-methoxybenzyl)-N-(1-propyl-1H-tetraazol-5-yl)amine
  • N-[(2-ethoxy-3-methoxyphenyl)methyl]-1-propyltetrazol-5-amine
  • N-[(2-ethoxy-3-methoxy-phenyl)methyl]-1-propyl-tetrazol-5-amine
  • N-[(2-ethoxy-3-methoxyphenyl)methyl]-1-propyl-5-tetrazolamine
  • N-[(2-ethoxy-3-methoxy-phenyl)methyl]-1-propyl-1,2,3,4-tetrazol-5-amine
  • SMR000524908
  • STK293245
  • ZINC05019403

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens parathyroid hormone 1 receptor Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04588 secretin receptor, putative Get druggable targets OG5_139196 All targets in OG5_139196
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative 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
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
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
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
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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.1086 0.0787
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.1086 0.5
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.1086 0.5
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0023 0.1086 0.5
Trypanosoma brucei unspecified product 0.0023 0.1086 0.5
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.1086 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.6796 0.848
Echinococcus granulosus dna polymerase eta 0.0023 0.1086 0.1086
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0.1086 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.6796 0.9236
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.1086 0.5
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.1086 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1086 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.6796 0.6689
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0058 0.7332 1
Schistosoma mansoni hypothetical protein 0.002 0.0518 0.0253
Echinococcus granulosus fetal alzheimer antigen falz 0.0022 0.0851 0.0751
Loa Loa (eye worm) PHD-finger family protein 0.002 0.0518 0.0559
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1086 0.5
Loa Loa (eye worm) hypothetical protein 0.0042 0.4357 0.4709
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.7684 0.7606
Brugia malayi Bromodomain containing protein 0.0037 0.3599 0.3384
Echinococcus multilocularis zinc finger protein 0.0019 0.0333 0.0012
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0022 0.0851 0.0689
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0023 0.1086 0.1174
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0022 0.0851 0.0751
Loa Loa (eye worm) hypothetical protein 0.0019 0.0325 0.0351
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.1086 0.5
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0325 0.0351
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.1086 0.5
Leishmania major DNA polymerase kappa, putative 0.0023 0.1086 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1086 0.5
Echinococcus multilocularis dna polymerase eta 0.0023 0.1086 0.1086
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.6796 0.848
Echinococcus multilocularis dna polymerase kappa 0.0023 0.1086 0.1086
Schistosoma mansoni zinc finger protein 0.0019 0.0333 0.0011
Echinococcus granulosus dna polymerase kappa 0.0023 0.1086 0.1086
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.7684 0.8303
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1086 0.5
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0023 0.1086 0.5
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.1086 0.0787
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1086 0.5
Leishmania major DNA polymerase eta, putative 0.0023 0.1086 0.5
Loa Loa (eye worm) hypothetical protein 0.0037 0.3611 0.3902
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.6796 0.9236
Trypanosoma brucei DNA polymerase eta, putative 0.0023 0.1086 0.5
Schistosoma mansoni DNA polymerase eta 0.0023 0.1086 0.0998
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1086 0.5
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.1086 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.6796 0.9236
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.6796 0.7344
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.4278 0.4085
Loa Loa (eye worm) hypothetical protein 0.0023 0.1086 0.1174
Entamoeba histolytica deoxycytidyl transferase, putative 0.0023 0.1086 0.5
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.1086 0.5
Loa Loa (eye worm) hypothetical protein 0.0069 0.9254 1
Loa Loa (eye worm) hypothetical protein 0.006 0.7684 0.8303
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.7684 0.7606
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1086 0.5
Loa Loa (eye worm) hypothetical protein 0.004 0.4024 0.4348
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1086 0.5
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0058 0.7332 1
Trichomonas vaginalis DNA polymerase eta, putative 0.0023 0.1086 0.5
Schistosoma mansoni terminal deoxycytidyl transferase 0.0023 0.1086 0.0998
Schistosoma mansoni bromodomain containing protein 0.0062 0.7956 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0023 0.1086 0.5
Brugia malayi PHD-finger family protein 0.0024 0.1264 0.097
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 0.1086 0.5
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0023 0.1086 0.0998
Loa Loa (eye worm) hypothetical protein 0.0041 0.4278 0.4622
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0035 0.3186 0.4083
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1086 0.5
Echinococcus granulosus zinc finger protein 0.0019 0.0333 0.0012
Schistosoma mansoni hypothetical protein 0.0041 0.4278 0.518
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1086 0.5
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0023 0.1086 0.1086
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0023 0.1086 0.1086
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0035 0.3186 0.4083
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.6796 0.9236
Giardia lamblia DINP protein human, muc B family 0.0023 0.1086 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.6796 0.848

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.5119 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No 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 PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) 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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