Detailed information for compound 1833228

Basic information

Technical information
  • TDR Targets ID: 1833228
  • Name: N-[1-(5-chloropyridin-2-yl)-1-[3-fluoro-5-(tr ifluoromethyl)phenyl]-2-phenylethyl]-2-methyl tetrazol-5-amine
  • MW: 476.857 | Formula: C22H17ClF4N6
  • H donors: 1 H acceptors: 4 LogP: 5.98 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1cc(cc(c1)C(F)(F)F)C(c1ccc(cn1)Cl)(Nc1nnn(n1)C)Cc1ccccc1
  • InChi: 1S/C22H17ClF4N6/c1-33-31-20(30-32-33)29-21(12-14-5-3-2-4-6-14,19-8-7-17(23)13-28-19)15-9-16(22(25,26)27)11-18(24)10-15/h2-11,13H,12H2,1H3,(H,29,31)
  • InChiKey: AVUNOUZYECYSGU-UHFFFAOYSA-N  

Network

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Synonyms

  • N-[1-(5-chloro-2-pyridyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenyl-ethyl]-2-methyl-tetrazol-5-amine
  • N-[1-(5-chloro-2-pyridyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-2-methyl-5-tetrazolamine
  • [1-(5-chloro-2-pyridyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenyl-ethyl]-(2-methyltetrazol-5-yl)amine
  • N-[1-(5-chloropyridin-2-yl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenyl-ethyl]-2-methyl-1,2,3,4-tetrazol-5-amine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cholesteryl ester transfer protein, plasma 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
No druggable targets predicted by sequence similarity

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Brugia malayi hypothetical protein 0.0023 0.0103 0.0464
Loa Loa (eye worm) hypothetical protein 0.0215 0.222 1
Brugia malayi LBP / BPI / CETP family, C-terminal domain containing protein 0.0041 0.0294 0.1326
Mycobacterium ulcerans bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein 0.0346 0.3666 1
Treponema pallidum hypothetical protein 0.0346 0.3666 1
Onchocerca volvulus 0.0041 0.0294 0.1215
Schistosoma mansoni rab6-interacting 0.0209 0.2153 1
Brugia malayi hypothetical protein 0.0209 0.2153 0.9698
Schistosoma mansoni inositol monophosphatase 0.0043 0.0323 0.1165
Schistosoma mansoni lipoxygenase 0.0209 0.2153 1
Echinococcus granulosus lipoxygenase domain containing protein 0.0209 0.2153 1
Onchocerca volvulus 0.0041 0.0294 0.1215
Trichomonas vaginalis inositol monophosphatase, putative 0.0043 0.0323 0.1348
Loa Loa (eye worm) hypothetical protein 0.0017 0.0037 0.0168
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0043 0.0323 1
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0043 0.0323 1
Mycobacterium leprae PROBABLE NICOTINATE-NUCLEOTIDE ADENYLYLTRANSFERASE NADD (DEAMIDO-NAD(+) PYROPHOSPHORYLASE) (DEAMIDO-NAD(+) DIPHOSPHORYLASE) (NIC 0.0346 0.3666 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0021 0.0081 0.2523
Plasmodium vivax nicotinate-nucleotide adenylyltransferase, putative 0.0346 0.3666 1
Onchocerca volvulus 0.0209 0.2153 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0037 0.0168
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0043 0.0323 0.1348
Brugia malayi Inositol-1 0.0043 0.0323 0.1454
Loa Loa (eye worm) LBP/BPI/CETP family domain-containing protein 0.0023 0.0103 0.0464
Loa Loa (eye worm) LBP/BPI/CETP family domain-containing protein 0.0023 0.0103 0.0464
Onchocerca volvulus 0.0041 0.0294 0.1215
Plasmodium falciparum LCCL domain-containing protein 0.0209 0.2153 0.578
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0021 0.0081 0.2523
Trichomonas vaginalis ap endonuclease, putative 0.0021 0.0081 0.0208
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0043 0.0323 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0103 0.0464
Brugia malayi LBP/BPI 0.0017 0.0037 0.0168
Schistosoma mansoni polycystin 1-related 0.0209 0.2153 1
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0043 0.0323 0.0881
Echinococcus granulosus lipoxygenase domain containing protein 0.0209 0.2153 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0021 0.0081 0.2523
Brugia malayi hypothetical protein 0.0017 0.0037 0.0168
Echinococcus multilocularis Polycystic kidney disease protein 0.0209 0.2153 0.2089
Brugia malayi hypothetical protein 0.0209 0.2153 0.9698
Loa Loa (eye worm) hypothetical protein 0.0017 0.0037 0.0168
Brugia malayi LBP / BPI / CETP family, N-terminal domain containing protein 0.0041 0.0294 0.1326
Onchocerca volvulus 0.0041 0.0294 0.1215
Schistosoma mansoni loxhd1 0.0209 0.2153 1
Echinococcus multilocularis RUN 0.0209 0.2153 0.2089
Brugia malayi Voltage-gated calcium channel, T-type, alpha subunit. C. elegans cca-1 ortholog 0.0215 0.222 1
Loa Loa (eye worm) LBP/BPI/CETP family domain-containing protein 0.0041 0.0294 0.1326
Brugia malayi hypothetical protein 0.0023 0.0103 0.0464
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0043 0.0323 1
Loa Loa (eye worm) doublecortin family protein 0.0209 0.2153 0.9698
Trichomonas vaginalis ap endonuclease, putative 0.0021 0.0081 0.0208
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0021 0.0081 0.5
Mycobacterium tuberculosis Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic 0.0346 0.3666 1
Onchocerca volvulus 0.0041 0.0294 0.1215
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0039 0.0273 0.0534
Loa Loa (eye worm) hypothetical protein 0.0041 0.0294 0.1326
Echinococcus granulosus inositol monophosphatase 1 0.0043 0.0323 0.1165
Echinococcus granulosus Polycystic kidney disease protein 0.0209 0.2153 1
Brugia malayi LBP / BPI / CETP family, C-terminal domain containing protein 0.0023 0.0103 0.0464
Onchocerca volvulus 0.0209 0.2153 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0103 0.0464
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0043 0.0323 1
Plasmodium vivax multidomain scavenger receptor, putative 0.0209 0.2153 0.578
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0043 0.0323 1
Echinococcus granulosus RUN 0.0209 0.2153 1
Onchocerca volvulus 0.0023 0.0103 0.0311
Echinococcus multilocularis inositol monophosphatase 1 0.0043 0.0323 0.0243
Onchocerca volvulus 0.0023 0.0103 0.0311
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0021 0.0081 0.0222
Brugia malayi LBP / BPI / CETP family, N-terminal domain containing protein 0.0041 0.0294 0.1326
Schistosoma mansoni inositol monophosphatase 0.0043 0.0323 0.1165
Trichomonas vaginalis conserved hypothetical protein 0.0209 0.2156 1
Echinococcus multilocularis lipoxygenase domain containing protein 0.0209 0.2153 0.2089
Loa Loa (eye worm) hypothetical protein 0.0023 0.0103 0.0464
Loa Loa (eye worm) hypothetical protein 0.0209 0.2153 0.9698
Onchocerca volvulus 0.0041 0.0294 0.1215
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0043 0.0323 0.1348
Plasmodium falciparum nicotinamide/nicotinic acid mononucleotide adenylyltransferase 0.0346 0.3666 1
Brugia malayi Doublecortin family protein 0.0209 0.2153 0.9698
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0021 0.0081 0.0367
Brugia malayi LBP / BPI / CETP family, C-terminal domain containing protein 0.0023 0.0103 0.0464
Onchocerca volvulus 0.0041 0.0294 0.1215
Brugia malayi LBP / BPI / CETP family, C-terminal domain containing protein 0.0023 0.0103 0.0464
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0043 0.0323 1
Schistosoma mansoni hypothetical protein 0.0209 0.2153 1
Echinococcus multilocularis lipoxygenase domain containing protein 0.0209 0.2153 0.2089
Loa Loa (eye worm) hypothetical protein 0.0023 0.0103 0.0464
Loa Loa (eye worm) hypothetical protein 0.0209 0.2153 0.9698
Loa Loa (eye worm) hypothetical protein 0.0023 0.0103 0.0464
Loa Loa (eye worm) inositol-1 0.0043 0.0323 0.1454
Onchocerca volvulus 0.0041 0.0294 0.1215
Brugia malayi exodeoxyribonuclease III family protein 0.0021 0.0081 0.0367
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0021 0.0081 0.2523
Loa Loa (eye worm) hypothetical protein 0.0017 0.0037 0.0168
Schistosoma mansoni rab6-interacting 0.0209 0.2153 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) Inhibition of CETP in human whole plasma using [3H]-CE/HDL after 10 mins ChEMBL. 24424134
IC50 (binding) = 11 uM Inhibition of human recombinant CETP using [3H]-CE/HDL by scintillation proximity assay ChEMBL. 24424134

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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