Detailed information for compound 308674

Basic information

Technical information
  • TDR Targets ID: 308674
  • Name: 4-methoxy-3-[[(E)-3-(4-phenylphenyl)but-2-eno yl]amino]benzoic acid
  • MW: 387.428 | Formula: C24H21NO4
  • H donors: 2 H acceptors: 3 LogP: 4.93 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1NC(=O)/C=C(/c1ccc(cc1)c1ccccc1)\C)C(=O)O
  • InChi: 1S/C24H21NO4/c1-16(17-8-10-19(11-9-17)18-6-4-3-5-7-18)14-23(26)25-21-15-20(24(27)28)12-13-22(21)29-2/h3-15H,1-2H3,(H,25,26)(H,27,28)/b16-14+
  • InChiKey: WDYAZENQUFVUBD-JQIJEIRASA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-methoxy-3-[[(E)-1-oxo-3-(4-phenylphenyl)but-2-enyl]amino]benzoic acid

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens leukotriene B4 receptor Starlite/ChEMBL No 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 cruzi lanosterol synthase, putative 0.0685 0.7671 0.7671
Echinococcus multilocularis protein farnesyltransferase subunit beta 0.0802 1 1
Entamoeba histolytica protein farnesyltransferase beta subunit, putative 0.0802 1 1
Schistosoma mansoni protein farnesyltransferase alpha subunit 0.0549 0.4982 0.4982
Giardia lamblia Rab geranylgeranyltransferase 0.0549 0.4982 0.4982
Leishmania major farnesyltransferase beta subunit 0.0802 1 1
Giardia lamblia Prenyltransferase 0.0802 1 1
Entamoeba histolytica ras-1, putative 0.0579 0.556 0.556
Echinococcus granulosus protein farnesyltransferase subunit beta 0.0802 1 1
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein 0.0802 1 1
Entamoeba histolytica Ras family GTPase 0.0579 0.556 0.556
Echinococcus granulosus protein farnesyltransferase alpha subunit 0.0549 0.4982 0.4982
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0802 1 1
Trichomonas vaginalis ral, putative 0.0579 0.556 0.556
Trichomonas vaginalis type I geranylgeranyltransferase beta subunit, putative 0.0802 1 1
Leishmania major lanosterol synthase, putative 0.0467 0.3354 0.3354
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0802 1 1
Toxoplasma gondii prenyltransferase and squalene oxidase repeat-containing protein 0.0802 1 1
Schistosoma mansoni protein farnesyltransferase subunit beta 0.0802 1 1
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0549 0.4982 0.4982
Brugia malayi Ras protein let-60 0.0579 0.556 0.556
Mycobacterium tuberculosis Halimadienyl diphosphate synthase 0.0685 0.7671 0.5
Trichomonas vaginalis ras-dva small GTPase, putative 0.0579 0.556 0.556
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.0549 0.4982 0.4982
Echinococcus granulosus ras gtpase 0.0579 0.556 0.556
Plasmodium vivax conserved Plasmodium protein, unknown function 0.0585 0.5683 0.5683
Entamoeba histolytica Ras family GTPase 0.0579 0.556 0.556
Entamoeba histolytica protein farnesyltransferase alpha subunit, putative 0.0549 0.4982 0.4982
Loa Loa (eye worm) hypothetical protein 0.0549 0.4982 0.4982
Trichomonas vaginalis rheb, putative 0.0579 0.556 0.556
Plasmodium vivax farnesyltransferase beta subunit, putative 0.0802 1 1
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0549 0.4982 0.4982
Plasmodium vivax prenyltransferase alpha subunit, putative 0.0549 0.4982 0.4982
Trypanosoma brucei lanosterol synthase 0.0685 0.7671 0.7671
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0802 1 1
Brugia malayi Ras-related protein R-Ras2 0.0579 0.556 0.556
Trichomonas vaginalis dexras1, putative 0.0579 0.556 0.556
Plasmodium falciparum protein farnesyltransferase subunit beta 0.0802 1 1
Trichomonas vaginalis rap1 and, putative 0.0579 0.556 0.556
Onchocerca volvulus 0.0298 0 0.5
Plasmodium falciparum protein farnesyltransferase subunit alpha 0.0549 0.4982 0.4982
Trypanosoma brucei protein farnesyltransferase beta subunit 0.0802 1 1
Trypanosoma cruzi protein farnesyltransferase, putative 0.0802 1 1
Trichomonas vaginalis geranylgeranyl transferase type beta subunit, putative 0.0802 1 1
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein 0.0549 0.4982 0.4982
Trypanosoma cruzi protein farnesyltransferase, putative 0.0802 1 1
Loa Loa (eye worm) hypothetical protein 0.0579 0.556 0.556
Echinococcus multilocularis ras gtpase 0.0579 0.556 0.556
Loa Loa (eye worm) Ras protein let-60 0.0579 0.556 0.556
Trypanosoma cruzi lanosterol synthase, putative 0.0685 0.7671 0.7671
Trichomonas vaginalis GTP-binding protein rit, putative 0.0579 0.556 0.556
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative 0.0802 1 1
Echinococcus multilocularis protein farnesyltransferase alpha subunit 0.0549 0.4982 0.4982
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.0549 0.4982 0.4982

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 15.9 nM In vitro binding affinity towards LTB4 receptor determined by measuring the displacement of [3H]-LTB4 from isolated neutrophils ChEMBL. No reference
IC50 (binding) = 15.9 nM In vitro binding affinity towards LTB4 receptor determined by measuring the displacement of [3H]-LTB4 from isolated neutrophils ChEMBL. No reference
IC50 (functional) = 42 nM In vitro inhibition of LTB4 induced neutrophil aggregation was determined ChEMBL. No reference
IC50 (functional) = 42 nM In vitro inhibition of LTB4 induced neutrophil aggregation was determined ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23

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.

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