Detailed information for compound 305545

Basic information

Technical information
  • TDR Targets ID: 305545
  • Name: 1-[2-hydroxy-3-propyl-4-[[4-[3-(2H-tetrazol-5 -yl)propyl]phenoxy]methyl]phenyl]ethanone
  • MW: 394.467 | Formula: C22H26N4O3
  • H donors: 2 H acceptors: 5 LogP: 4.84 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCc1c(COc2ccc(cc2)CCCc2nnn[nH]2)ccc(c1O)C(=O)C
  • InChi: 1S/C22H26N4O3/c1-3-5-20-17(10-13-19(15(2)27)22(20)28)14-29-18-11-8-16(9-12-18)6-4-7-21-23-25-26-24-21/h8-13,28H,3-7,14H2,1-2H3,(H,23,24,25,26)
  • InChiKey: SSLGYIFBRUGUIR-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 1-[2-hydroxy-3-propyl-4-[[4-[3-(2H-1,2,3,4-tetrazol-5-yl)propyl]phenoxy]methyl]phenyl]ethanone
  • 97582-01-9

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cysteinyl leukotriene receptor 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
No druggable targets predicted by sequence similarity

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Trypanosoma brucei calcium motive p-type ATPase, putative 0.0014 0.0997 1
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0071 1 1
Onchocerca volvulus 0.0071 1 1
Toxoplasma gondii P-type ATPase4, putative 0.0014 0.0997 1
Echinococcus multilocularis plasma membrane calcium transporting ATPase 0.0014 0.0997 0.022
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0071 1 1
Plasmodium falciparum non-SERCA-type Ca2+ -transporting P-ATPase 0.0014 0.0997 0.5
Schistosoma mansoni Na+/K+ transporting ATPase subunit alpha 0.0036 0.4562 0.4093
Echinococcus granulosus nervana 2 0.0071 1 1
Schistosoma mansoni calcium-transporting atpase 2 (atpase 2) 0.0014 0.0997 0.022
Brugia malayi Calcium-transporting ATPase sarcoplasmic/endoplasmic reticulum type 0.0014 0.0997 0.2018
Echinococcus multilocularis Tetracycline resistance leader peptide, TetL 0.0014 0.0997 0.022
Leishmania major calcium-transporting ATPase, putative 0.0014 0.0997 1
Entamoeba histolytica calcium-transporting P-type ATPase, putative 0.0014 0.0997 1
Loa Loa (eye worm) hypothetical protein 0.0013 0.0795 0.0605
Brugia malayi Probable calcium-transporting ATPase KIAA0703 0.0009 0.0202 0.0238
Echinococcus granulosus calcium transporting atpase 0.0014 0.0997 0.022
Echinococcus granulosus Ca2 transporting ATPase plasma membrane 0.0014 0.0997 0.022
Echinococcus multilocularis Na+:K+ ATPase alpha subunit 0.0036 0.4562 0.4093
Schistosoma mansoni transmemberane protein 0.0071 1 1
Mycobacterium ulcerans metal cation transporter p-type ATPase a 0.0035 0.436 1
Mycobacterium leprae PROBABLE CATION-TRANSPORTER ATPASE I CTPI 0.003 0.3565 0.5
Echinococcus multilocularis sodium:potassium transporting ATPase subunit 0.0071 1 1
Toxoplasma gondii plasma membrane-type Ca(2+)-ATPase A1 PMCAA1 0.0014 0.0997 1
Brugia malayi Sodium/potassium-transporting ATPase alpha chain, putative 0.0031 0.3767 0.822
Trypanosoma cruzi Calcium ATPase SERCA-like 0.0013 0.0795 0.7455
Echinococcus multilocularis nervana 2 0.0071 1 1
Entamoeba histolytica Plasma membrane calcium-transporting ATPase, putative 0.0013 0.0795 0.7755
Echinococcus granulosus nervana 2 0.0071 1 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.4562 0.445
Echinococcus granulosus plasma membrane calcium transporting ATPase 2 0.0014 0.0997 0.022
Loa Loa (eye worm) Na,K-ATPase alpha subunit 0.0036 0.4562 0.445
Echinococcus multilocularis calcium transporting atpase 0.0014 0.0997 0.022
Giardia lamblia Potassium-transporting ATPase alpha chain 1 0.0036 0.4562 1
Schistosoma mansoni calcium-transporting atpase sarcoplasmic/endoplasmic reticulum type (calcium pump) 0.0014 0.0997 0.022
Trypanosoma brucei vacuolar-type Ca2+-ATPase, putative 0.0013 0.0795 0.7455
Plasmodium vivax calcium-transporting ATPase, putative 0.0014 0.0997 0.5
Echinococcus granulosus nervana 2 0.0071 1 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.2376 0.2219
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0014 0.0997 1
Schistosoma mansoni calcium-transporting atpase sarcoplasmic/endoplasmic reticulum type (calcium pump) 0.0014 0.0997 0.022
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0014 0.0997 1
Trypanosoma brucei vacuolar-type Ca2+-ATPase 2 0.0013 0.0795 0.7455
Plasmodium vivax P-type ATPase4, putative 0.0014 0.0997 0.5
Echinococcus granulosus plasma membrane calcium transporting ATPase 0.0014 0.0997 0.022
Trypanosoma cruzi calcium motive p-type ATPase, putative 0.0014 0.0997 1
Echinococcus multilocularis nervana 2 0.0071 1 1
Schistosoma mansoni plasma membrane calcium-transporting atpase 0.0014 0.0997 0.022
Echinococcus multilocularis calcium transporting ATPase type 2C member 0.0014 0.0997 0.022
Trypanosoma cruzi plasma membrane Ca2+ ATPase 0.0013 0.0795 0.7455
Plasmodium falciparum calcium-transporting ATPase 0.0014 0.0997 0.5
Leishmania major calcium motive p-type ATPase, putative 0.0014 0.0997 1
Echinococcus multilocularis nervana 2 0.0071 1 1
Mycobacterium ulcerans metal cation-transporting p-type ATPase F, CtpF 0.0014 0.0997 0.2287
Schistosoma mansoni plasma membrane calcium-transporting atpase 0.0014 0.0997 0.022
Echinococcus granulosus calcium transporting ATPase type 2C member 0.0014 0.0997 0.022
Trypanosoma brucei vacuolar-type Ca2+-ATPase 1 0.0013 0.0795 0.7455
Loa Loa (eye worm) hypothetical protein 0.0028 0.3278 0.3139
Schistosoma mansoni sodium/potassium-dependent atpase beta subunit 0.0071 1 1
Toxoplasma gondii sarco/endoplasmic reticulum Ca2+-ATPase 0.0014 0.0997 1
Schistosoma mansoni na+/k+ atpase alpha subunit 0.0036 0.4562 0.4093
Mycobacterium tuberculosis Possible metal cation transporting P-type ATPase CtpH 0.0008 0 0.5
Brugia malayi Membrane calcium atpase protein 3 0.0014 0.0997 0.2018
Brugia malayi Na,K-ATPase alpha subunit 0.0036 0.4562 1
Trypanosoma cruzi plasma membrane Ca2+ ATPase 0.0013 0.0795 0.7455
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0071 1 1
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0071 1 1
Loa Loa (eye worm) hypothetical protein 0.0071 1 1
Entamoeba histolytica Plasma membrane calcium-transporting ATPase, putative 0.0013 0.0795 0.7755
Echinococcus granulosus sodium:potassium transporting ATPase subunit 0.0071 1 1
Entamoeba histolytica Plasma membrane calcium-transporting ATPase, putative 0.0013 0.0795 0.7755
Leishmania major P-type ATPase, putative 0.0014 0.0997 1
Echinococcus multilocularis nervana 2 0.0071 1 1
Loa Loa (eye worm) sodium/potassium-transporting ATPase subunit alpha 0.0031 0.3767 0.3639
Trypanosoma brucei calcium-translocating P-type ATPase 0.0014 0.0997 1
Echinococcus granulosus nervana 2 0.0071 1 1
Loa Loa (eye worm) hypothetical protein 0.0071 1 1
Schistosoma mansoni sodium / potassium ATPase beta chain 0.0071 1 1
Trypanosoma cruzi calcium motive p-type ATPase, putative 0.0014 0.0997 1
Echinococcus multilocularis Ca2+ transporting ATPase plasma membrane 0.0014 0.0997 0.022
Echinococcus granulosus Na:K ATPase alpha subunit 0.0036 0.4562 0.4093
Loa Loa (eye worm) hypothetical protein 0.0024 0.2664 0.2512
Onchocerca volvulus 0.0071 1 1
Schistosoma mansoni sodium/potassium-dependent atpase beta subunit 0.0071 1 1
Schistosoma mansoni sodium/potassium-dependent atpase beta subunit 0.0071 1 1
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0071 1 1

Activities

Activity type Activity value Assay description Source Reference
-Log IC50 (functional) = 7.3 Inhibition of LTD4-induced contraction in guinea pig ileum ChEMBL. 3033245
IC50 (functional) = 7.3 Inhibition of LTD4-induced contraction in guinea pig ileum ChEMBL. 3033245

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.