Detailed information for compound 148696

Basic information

Technical information
  • TDR Targets ID: 148696
  • Name: 2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phe nyl]methyl]amino]pyridine-3-carbaldehyde
  • MW: 398.46 | Formula: C23H22N6O
  • H donors: 1 H acceptors: 5 LogP: 4 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCN(c1ncccc1C=O)Cc1ccc(cc1)c1ccccc1c1n[nH]nn1
  • InChi: 1S/C23H22N6O/c1-2-14-29(23-19(16-30)6-5-13-24-23)15-17-9-11-18(12-10-17)20-7-3-4-8-21(20)22-25-27-28-26-22/h3-13,16H,2,14-15H2,1H3,(H,25,26,27,28)
  • InChiKey: QIYZYCHTRXUKCO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-pyridinecarboxaldehyde
  • 2-[propyl-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carbaldehyde
  • 2-[propyl-[4-[2-(2H-tetrazol-5-yl)phenyl]benzyl]amino]nicotinaldehyde

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens angiotensin II receptor, type 1 References
Homo sapiens angiotensin II receptor, type 2 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus pyroglutamylated rfamide peptide receptor angiotensin II receptor, type 1 359 aa 403 aa 19.1 %
Echinococcus granulosus pyroglutamylated rfamide peptide receptor angiotensin II receptor, type 2 363 aa 398 aa 18.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) pigment dispersing factor receptor c 0.095 1 1
Brugia malayi hypothetical protein 0.0132 0.0977 0.0977
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0674 0.6962 1
Loa Loa (eye worm) hypothetical protein 0.095 1 1
Leishmania major hypothetical protein, conserved 0.0132 0.0977 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0271 0.2506 0.2506
Schistosoma mansoni tar DNA-binding protein 0.0271 0.2506 0.36
Schistosoma mansoni hypothetical protein 0.0499 0.5029 0.7224
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0674 0.6962 1
Schistosoma mansoni hypothetical protein 0.0649 0.6683 0.96
Echinococcus multilocularis tar DNA binding protein 0.0271 0.2506 0.2986
Brugia malayi TAR-binding protein 0.0271 0.2506 0.2506
Toxoplasma gondii LsmAD domain-containing protein 0.0132 0.0977 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0674 0.6962 1
Echinococcus granulosus tar DNA binding protein 0.0271 0.2506 0.36
Loa Loa (eye worm) hypothetical protein 0.0649 0.6683 0.6683
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0301 0.2834 0.3377
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0301 0.2834 0.4071
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0301 0.2834 0.3377
Loa Loa (eye worm) transcription factor SMAD2 0.0642 0.6604 0.6604
Trypanosoma cruzi PAB1-binding protein , putative 0.0132 0.0977 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0132 0.0977 0.5
Schistosoma mansoni hypothetical protein 0.0301 0.2834 0.4071
Echinococcus multilocularis geminin 0.0499 0.5029 0.5992
Brugia malayi hypothetical protein 0.0085 0.0459 0.0459
Schistosoma mansoni hypothetical protein 0.0301 0.2834 0.4071
Schistosoma mansoni DNA polymerase eta 0.0047 0.0039 0.0056
Loa Loa (eye worm) hypothetical protein 0.0132 0.0977 0.0977
Brugia malayi Calcitonin receptor-like protein seb-1 0.095 1 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0301 0.2834 0.4071
Schistosoma mansoni hypothetical protein 0.0499 0.5029 0.7224
Onchocerca volvulus 0.0148 0.1154 0.5
Loa Loa (eye worm) TAR-binding protein 0.0271 0.2506 0.2506
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0674 0.6962 0.8295
Schistosoma mansoni hypothetical protein 0.0301 0.2834 0.4071
Echinococcus granulosus dna polymerase eta 0.0047 0.0039 0.0056
Brugia malayi Latrophilin receptor protein 2 0.0301 0.2834 0.2834
Echinococcus granulosus geminin 0.0499 0.5029 0.7224
Plasmodium falciparum ataxin-2 like protein, putative 0.0132 0.0977 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0642 0.6604 0.6604
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0804 0.8392 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0674 0.6962 0.8295
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0674 0.6962 1
Brugia malayi RNA binding protein 0.0271 0.2506 0.2506
Loa Loa (eye worm) hypothetical protein 0.0047 0.0039 0.0039
Echinococcus multilocularis dna polymerase eta 0.0047 0.0039 0.0047
Schistosoma mansoni tar DNA-binding protein 0.0271 0.2506 0.36
Brugia malayi MH2 domain containing protein 0.0642 0.6604 0.6604
Schistosoma mansoni hypothetical protein 0.0301 0.2834 0.4071
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0301 0.2834 0.2834
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0674 0.6962 0.6962
Brugia malayi ImpB/MucB/SamB family protein 0.0047 0.0039 0.0039
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0059 0.0172 0.0247
Schistosoma mansoni tar DNA-binding protein 0.0271 0.2506 0.36
Trypanosoma cruzi PAB1-binding protein , putative 0.0132 0.0977 1
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0059 0.0172 0.0205
Loa Loa (eye worm) latrophilin receptor protein 2 0.0301 0.2834 0.2834
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0674 0.6962 0.6962
Brugia malayi hypothetical protein 0.0148 0.1154 0.1154
Brugia malayi RNA recognition motif domain containing protein 0.0271 0.2506 0.2506
Loa Loa (eye worm) hypothetical protein 0.0148 0.1154 0.1154
Plasmodium vivax ataxin-2 like protein, putative 0.0132 0.0977 0.5
Loa Loa (eye worm) RNA binding protein 0.0271 0.2506 0.2506
Schistosoma mansoni tar DNA-binding protein 0.0271 0.2506 0.36
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0674 0.6962 1
Echinococcus multilocularis GPCR, family 2 0.0301 0.2834 0.3377
Schistosoma mansoni hypothetical protein 0.0059 0.0172 0.0247
Echinococcus granulosus GPCR family 2 0.0301 0.2834 0.4071
Brugia malayi latrophilin 2 splice variant baaae 0.0649 0.6683 0.6683
Schistosoma mansoni tar DNA-binding protein 0.0271 0.2506 0.36
Loa Loa (eye worm) hypothetical protein 0.0301 0.2834 0.2834
Trypanosoma brucei PAB1-binding protein , putative 0.0132 0.0977 1

Activities

Activity type Activity value Assay description Source Reference
Decrease in blood pressure (functional) = 15 % % decrease in blood pressure after 4 hours at a dose of 0.3 mg/kg in male rats by using Renal artery hypertensive model ChEMBL. 8410980
Kd (binding) = 8.56 Potency of the compound to antagonize the ability of angiotensin II to contract rabbit aorta ChEMBL. 8410980
pA2 (binding) = 8.56 Potency of the compound to antagonize the ability of angiotensin II to contract rabbit aorta ChEMBL. 8410980

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

1 literature reference was collected for this gene.

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