Detailed information for compound 225640

Basic information

Technical information
  • TDR Targets ID: 225640
  • Name: 6-[(E)-[phenyl(pyridazin-4-yl)methylidene]ami no]oxyhexanoic acid
  • MW: 313.351 | Formula: C17H19N3O3
  • H donors: 1 H acceptors: 4 LogP: 2.34 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)CCCCCO/N=C(/c1ccnnc1)\c1ccccc1
  • InChi: 1S/C17H19N3O3/c21-16(22)9-5-2-6-12-23-20-17(14-7-3-1-4-8-14)15-10-11-18-19-13-15/h1,3-4,7-8,10-11,13H,2,5-6,9,12H2,(H,21,22)/b20-17+
  • InChiKey: OQFHCZONVRWBLQ-LVZFUZTISA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6-[(E)-[phenyl(pyridazin-4-yl)methylene]amino]oxyhexanoic acid
  • 6-[(E)-[phenyl(4-pyridazinyl)methylene]amino]oxyhexanoic acid
  • 6-[(phenyl-pyridazin-4-ylmethylidene)amino]oxyhexanoic acid
  • 6-[(phenyl-pyridazin-4-yl-methylene)amino]oxyhexanoic acid
  • 6-[[phenyl-(4-pyridazinyl)methylene]amino]oxyhexanoic acid
  • 6-[(phenyl-pyridazin-4-yl-methylidene)amino]oxyhexanoic acid

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens thromboxane A synthase 1 (platelet) Starlite/ChEMBL References
Homo sapiens thromboxane A2 receptor 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
Trypanosoma brucei cytochrome P450, putative thromboxane A synthase 1 (platelet) 534 aa 498 aa 21.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni regulator of G protein signaling 0.0019 0.0025 0.0025
Brugia malayi ImpB/MucB/SamB family protein 0.0017 0.0017 0.0017
Schistosoma mansoni regulator of G protein signaling 0.0019 0.0025 0.0025
Loa Loa (eye worm) CAMK/PIM protein kinase 0.0149 0.0466 0.0466
Echinococcus multilocularis Regulator of G protein signaling 20 0.0019 0.0025 0.0025
Echinococcus granulosus Regulator of G protein signaling 20 0.0019 0.0025 0.0025
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0025 0.0043 0.0157
Echinococcus granulosus beta-adrenergic receptor kinase 0.0019 0.0026 0.0026
Trypanosoma cruzi sedoheptulose-1,7-bisphosphatase, putative 0.1101 0.3694 0.3683
Trypanosoma brucei DNA polymerase IV, putative 0.0048 0.0122 0.0105
Trypanosoma brucei DNA polymerase IV, putative 0.0048 0.0122 0.0105
Echinococcus multilocularis axis inhibition protein axin 0.0019 0.0025 0.0025
Mycobacterium leprae PROBABLE ISOCITRATE LYASE AceA (ISOCITRASE) (ISOCITRATASE) (ICL) 0.0506 0.1675 1
Echinococcus granulosus proto oncogene serine:threonine protein kinase 0.0149 0.0466 0.0466
Echinococcus granulosus fructose 16 bisphosphatase 1 0.2961 1 1
Echinococcus multilocularis regulator of G protein signaling 0.0019 0.0025 0.0025
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0026 0.0008
Echinococcus granulosus dna polymerase kappa 0.0048 0.0122 0.0122
Schistosoma mansoni fructose-16-bisphosphatase-related 0.2961 1 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0048 0.0122 0.0105
Echinococcus multilocularis transcription factor Dp 1 0.0044 0.0111 0.0111
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0077 0.0221 0.0221
Trypanosoma brucei unspecified product 0.004 0.0096 0.0079
Schistosoma mansoni hypothetical protein 0.0042 0.0102 0.0102
Leishmania major 0.2961 1 1
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0025 0.0043 0.0026
Trypanosoma brucei DNA polymerase kappa, putative 0.0048 0.0122 0.0105
Echinococcus granulosus regulator of G protein signaling 7 0.0019 0.0025 0.0025
Echinococcus granulosus regulator of G protein signaling 3 0.0019 0.0025 0.0025
Echinococcus multilocularis proto oncogene serine:threonine protein kinase 0.0149 0.0466 0.0466
Loa Loa (eye worm) AGC/GRK/BARK protein kinase 0.0019 0.0026 0.0026
Giardia lamblia DINP protein human, muc B family 0.0025 0.0043 0.5
Brugia malayi Protein kinase domain containing protein 0.0149 0.0466 0.0466
Trypanosoma cruzi DNA polymerase kappa, putative 0.0048 0.0122 0.0105
Brugia malayi A-kinase anchor protein 10, precursor 0.0019 0.0025 0.0025
Echinococcus multilocularis dna polymerase eta 0.0017 0.0017 0.0017
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.0019 0.0026 0.0026
Schistosoma mansoni DNA polymerase eta 0.0017 0.0017 0.0017
Trypanosoma cruzi DNA polymerase kappa, putative 0.0048 0.0122 0.0105
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0077 0.0221 0.0221
Brugia malayi Regulator of G protein signaling domain containing protein 0.0019 0.0025 0.0025
Brugia malayi polk-prov protein 0.0036 0.0083 0.0083
Trypanosoma brucei DNA polymerase IV, putative 0.004 0.0096 0.0079
Loa Loa (eye worm) hypothetical protein 0.0019 0.0025 0.0025
Loa Loa (eye worm) PXA domain-containing protein 0.0019 0.0025 0.0025
Brugia malayi hypothetical protein 0.0042 0.0102 0.0102
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.2961 1 1
Echinococcus multilocularis regulator of G protein signaling 3 0.0019 0.0025 0.0025
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0026 0.0008
Trypanosoma brucei DNA polymerase kappa, putative 0.0048 0.0122 0.0105
Trypanosoma brucei fructose-1,6-bisphosphatase 0.2961 1 1
Echinococcus multilocularis fructose 1,6 bisphosphatase 1 0.2961 1 1
Entamoeba histolytica hypothetical protein 0.0042 0.0102 0.4172
Toxoplasma gondii fructose-bisphospatase II 0.2961 1 1
Brugia malayi PXA domain containing protein 0.0019 0.0025 0.0025
Echinococcus granulosus A kinase anchor protein 10 mitochondrial 0.0019 0.0025 0.0025
Toxoplasma gondii fructose-bisphospatase I 0.1101 0.3694 0.3691
Echinococcus granulosus regulator of G protein signaling 3 0.0019 0.0025 0.0025
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0019 0.0025 0.0025
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0017 0.0017 0.0017
Entamoeba histolytica hypothetical protein 0.0042 0.0102 0.4172
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0077 0.0221 0.0204
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0077 0.0221 0.0204
Echinococcus multilocularis A kinase anchor protein 10, mitochondrial 0.0019 0.0025 0.0025
Trypanosoma brucei DNA polymerase kappa, putative 0.0048 0.0122 0.0105
Echinococcus granulosus expressed protein 0.037 0.1215 0.1215
Leishmania major DNA polymerase kappa, putative 0.0025 0.0043 0.0026
Trichomonas vaginalis DNA polymerase eta, putative 0.0048 0.0122 1
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0077 0.0221 0.0221
Toxoplasma gondii sedoheptulose-1,7-bisphosphatase 0.1101 0.3694 0.3691
Loa Loa (eye worm) RGS-3 protein 0.0019 0.0025 0.0025
Brugia malayi ImpB/MucB/SamB family protein 0.0017 0.0017 0.0017
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0077 0.0221 0.0221
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.2961 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0026 0.0008
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0019 0.0025 0.0025
Loa Loa (eye worm) hypothetical protein 0.0019 0.0025 0.0025
Brugia malayi Probable G protein-coupled receptor kinase F19C6.1, putative 0.0019 0.0026 0.0026
Schistosoma mansoni terminal deoxycytidyl transferase 0.0017 0.0017 0.0017
Echinococcus multilocularis beta adrenergic receptor kinase 0.0019 0.0026 0.0026
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0017 0.0017 0.0017
Schistosoma mansoni serine/threonine protein kinase 0.0019 0.0026 0.0026
Trypanosoma brucei sedoheptulose-1,7-bisphosphatase 0.1101 0.3694 0.3683
Echinococcus multilocularis axis inhibition protein axin 0.0019 0.0025 0.0025
Echinococcus granulosus regulator of G protein signaling 7 0.0019 0.0025 0.0025
Brugia malayi hypothetical protein 0.0019 0.0025 0.0025
Trypanosoma brucei DNA polymerase kappa, putative 0.0048 0.0122 0.0105
Brugia malayi Regulator of G protein signaling domain containing protein 0.0019 0.0025 0.0025
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0077 0.0221 1
Schistosoma mansoni axis inhibition protein axin 0.0019 0.0025 0.0025
Echinococcus granulosus axis inhibition protein axin 0.0019 0.0025 0.0025
Trypanosoma brucei DNA polymerase kappa, putative 0.0048 0.0122 0.0105
Echinococcus granulosus axis inhibition protein axin 0.0019 0.0025 0.0025
Echinococcus multilocularis regulator of G protein signaling 3 0.0019 0.0025 0.0025
Entamoeba histolytica hypothetical protein 0.0042 0.0102 0.4172
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0077 0.0221 0.0221
Mycobacterium ulcerans isocitrate lyase Icl 0.0506 0.1675 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0048 0.0122 0.0105
Trypanosoma brucei DNA polymerase kappa, putative 0.0036 0.0083 0.0066
Trypanosoma brucei DNA polymerase kappa, putative 0.0048 0.0122 0.0105
Trypanosoma brucei DNA polymerase kappa, putative 0.0048 0.0122 0.0105
Brugia malayi regulator of G-protein signaling rgs-7 0.0019 0.0025 0.0025
Mycobacterium tuberculosis Isocitrate lyase Icl (isocitrase) (isocitratase) 0.0506 0.1675 1
Brugia malayi regulator of G-protein signaling egl-10 0.0019 0.0025 0.0025
Schistosoma mansoni regulator of G protein signaling 0.0019 0.0025 0.0025
Schistosoma mansoni transcription factor LCR-F1 0.0042 0.0102 0.0102
Brugia malayi PXA domain containing protein 0.0019 0.0025 0.0025
Loa Loa (eye worm) hypothetical protein 0.0019 0.0025 0.0025
Loa Loa (eye worm) CAMK/PIM protein kinase 0.0149 0.0466 0.0466
Schistosoma mansoni serine/threonine protein kinase 0.0019 0.0026 0.0026
Loa Loa (eye worm) hypothetical protein 0.0019 0.0025 0.0025
Onchocerca volvulus Serine\/threonine protein kinase homolog 0.0149 0.0466 1
Echinococcus multilocularis regulator of G protein signaling 7 0.0019 0.0025 0.0025
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0017 0.0017 0.0017
Mycobacterium ulcerans isocitrate lyase AceAb 0.0506 0.1675 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0025 0.0025
Brugia malayi hypothetical protein 0.0019 0.0025 0.0025
Entamoeba histolytica hypothetical protein 0.0019 0.0025 0.036
Schistosoma mansoni serine/threonine protein kinase 0.0019 0.0026 0.0026
Mycobacterium tuberculosis Probable isocitrate lyase AceAb [second part] (isocitrase) (isocitratase) (Icl) 0.0506 0.1675 1
Entamoeba histolytica hypothetical protein 0.0042 0.0102 0.4172
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0077 0.0221 0.0204
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0048 0.0122 1
Schistosoma mansoni serine/threonine protein kinase 0.0149 0.0466 0.0466
Echinococcus granulosus transcription factor Dp 1 0.0044 0.0111 0.0111
Loa Loa (eye worm) hypothetical protein 0.0017 0.0017 0.0017
Trypanosoma brucei DNA polymerase kappa, putative 0.0048 0.0122 0.0105
Schistosoma mansoni regulator of G protein signaling 0.0019 0.0025 0.0025
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0042 0.0102 0.0102
Trypanosoma brucei DNA polymerase kappa, putative 0.0025 0.0043 0.0026
Brugia malayi Serine/threonine-protein kinase Pim-3 0.0149 0.0466 0.0466
Entamoeba histolytica hypothetical protein 0.0019 0.0025 0.036
Echinococcus multilocularis dna polymerase kappa 0.0048 0.0122 0.0122
Schistosoma mansoni regulator of G protein signaling 3 rgs3 0.0019 0.0025 0.0025
Schistosoma mansoni axis inhibition protein axin 0.0019 0.0025 0.0025
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0017 0.0017 0.0017
Schistosoma mansoni regulator of G protein signaling 0.0019 0.0025 0.0025
Trypanosoma brucei DNA polymerase kappa, putative 0.0036 0.0083 0.0066
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0042 0.0102 0.0102
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0077 0.0221 0.0204
Echinococcus multilocularis expressed protein 0.037 0.1215 0.1215
Schistosoma mansoni hypothetical protein 0.006 0.0164 0.0164
Schistosoma mansoni z-protein (S1r protein) 0.0019 0.0025 0.0025
Echinococcus multilocularis regulator of G protein signaling 7 0.0019 0.0025 0.0025
Loa Loa (eye worm) hypothetical protein 0.0019 0.0025 0.0025
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0019 0.0025 0.0025
Loa Loa (eye worm) hypothetical protein 0.0036 0.0083 0.0083
Trypanosoma cruzi sedoheptulose-1,7-bisphosphatase, putative 0.1101 0.3694 0.3683
Echinococcus granulosus dna polymerase eta 0.0017 0.0017 0.0017
Trypanosoma brucei DNA polymerase kappa, putative 0.0048 0.0122 0.0105
Mycobacterium tuberculosis Probable isocitrate lyase AceAa [first part] (isocitrase) (isocitratase) (Icl) 0.0506 0.1675 1
Entamoeba histolytica hypothetical protein 0.0019 0.0025 0.036
Loa Loa (eye worm) fructose-1,6-bisphosphatase 0.2961 1 1

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 59 uM Inhibition of collagen-induced platelet aggregation in human platelet rich plasma ChEMBL. 8831771
EC50 (functional) = 59 uM Inhibition of collagen-induced platelet aggregation in human platelet rich plasma ChEMBL. 8831771
IC50 (binding) = 3.8 uM TXA2 synthetase inhibition measured by the inhibition of TXB2 formation by human gel-filtered platelets incubated with [14C]-arachidonic acid ChEMBL. 8831771
IC50 (binding) = 3.8 uM TXA2 synthetase inhibition measured by the inhibition of TXB2 formation by human gel-filtered platelets incubated with [14C]-arachidonic acid ChEMBL. 8831771
IC50 (functional) = 7.1 uM TXA2 receptor antagonism, measured by the displacement of [3H]SQ29,548 from the PGH-2/TXA-2 receptor on human platelets ChEMBL. 8831771
IC50 (functional) = 7.1 uM TXA2 receptor antagonism, measured by the displacement of [3H]SQ29,548 from the PGH-2/TXA-2 receptor on human platelets ChEMBL. 8831771

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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