Detailed information for compound 756623

Basic information

Technical information
  • TDR Targets ID: 756623
  • Name: (4E)-2-(4-fluorophenyl)-4-[[3-methoxy-4-(phen ylmethoxy)phenyl]methylidene]-5-methylpyrazol -3-one
  • MW: 416.444 | Formula: C25H21FN2O3
  • H donors: 0 H acceptors: 1 LogP: 4.93 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(ccc1OCc1ccccc1)C=C1C(=NN(C1=O)c1ccc(cc1)F)C
  • InChi: 1S/C25H21FN2O3/c1-17-22(25(29)28(27-17)21-11-9-20(26)10-12-21)14-19-8-13-23(24(15-19)30-2)31-16-18-6-4-3-5-7-18/h3-15H,16H2,1-2H3/b22-14+
  • InChiKey: IRDRQHIUAHOHKD-HYARGMPZSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (4E)-2-(4-fluorophenyl)-4-[[3-methoxy-4-(phenylmethoxy)phenyl]methylene]-5-methyl-pyrazol-3-one
  • (4E)-2-(4-fluorophenyl)-4-[[3-methoxy-4-(phenylmethoxy)phenyl]methylene]-5-methyl-3-pyrazolone
  • (4E)-4-[4-(benzyloxy)-3-methoxy-benzylidene]-2-(4-fluorophenyl)-5-methyl-pyrazol-3-one
  • (4E)-2-(4-fluorophenyl)-4-[[3-methoxy-4-(phenylmethoxy)phenyl]methylidene]-5-methyl-pyrazol-3-one
  • ZINC04818938

Targets

Known targets for this compound

No curated genes were found associated with this compound

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
Giardia lamblia Kinase, PLK 0.0104 0.1313 1
Loa Loa (eye worm) PHD-finger family protein 0.0041 0.0347 0.0694
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0032 0.021 0.0039
Schistosoma mansoni serine/threonine protein kinase 0.0104 0.1313 0.1162
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0171 0.0716
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0048 0.0455 1
Trichomonas vaginalis CAMK family protein kinase 0.0104 0.1313 1
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0044 0.0391 0.1825
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.028 0.0111
Schistosoma mansoni cellular tumor antigen P53 0.0048 0.0464 0.0298
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0044 0.0405 0.0238
Echinococcus multilocularis peregrin 0.0038 0.0298 0.0129
Trichomonas vaginalis bromodomain-containing protein, putative 0.0048 0.0455 0.3027
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0239 0.0069
Echinococcus granulosus geminin 0.0341 0.4962 0.4874
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0254 0.1394
Brugia malayi acetyltransferase, GNAT family protein 0.0151 0.2043 0.7378
Loa Loa (eye worm) phosphatidylinositol 3 0.0044 0.0391 0.0868
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0092 0.1136 0.0982
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0151 0.2043 0.1905
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.022 0.1113
Schistosoma mansoni jumonji/arid domain-containing protein 0.0039 0.0323 0.0155
Loa Loa (eye worm) hypothetical protein 0.0084 0.1011 0.3312
Echinococcus granulosus histone acetyltransferase KAT2B 0.0142 0.1908 0.1767
Echinococcus multilocularis tumor protein p63 0.033 0.4788 0.4697
Brugia malayi Bromodomain containing protein 0.0038 0.0298 0.05
Trichomonas vaginalis CAMK family protein kinase 0.0104 0.1313 1
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0048 0.0455 0.3027
Trypanosoma cruzi polo-like protein kinase, putative 0.0104 0.1313 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0083 0.0004
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0254 0.1394
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0032 0.021 0.0039
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0121 0.1586 0.1439
Schistosoma mansoni tar DNA-binding protein 0.0194 0.2708 0.2581
Echinococcus granulosus zinc finger protein 0.0042 0.037 0.0203
Loa Loa (eye worm) RNA binding protein 0.0194 0.2708 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.0391 0.2507
Schistosoma mansoni hypothetical protein 0.0069 0.0776 0.0615
Schistosoma mansoni hypothetical protein 0.0032 0.021 0.0039
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.01 0.1264 0.4306
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0032 0.021 0.0039
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.028 0.0111
Schistosoma mansoni kinase 0.0053 0.0531 0.0366
Trypanosoma cruzi polo-like protein kinase, putative 0.0104 0.1313 1
Trypanosoma brucei polo-like protein kinase 0.0104 0.1313 1
Brugia malayi Latrophilin receptor protein 2 0.0032 0.021 0.0152
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0092 0.1136 0.0982
Echinococcus granulosus tar DNA binding protein 0.0194 0.2708 0.2581
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0034 0.0239 0.0069
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0083 0.0004
Trichomonas vaginalis CAMK family protein kinase 0.0104 0.1313 1
Toxoplasma gondii target of rapamycin (TOR), putative 0.0032 0.022 0.1715
Echinococcus granulosus peregrin 0.0038 0.0298 0.0129
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0044 0.0391 0.0224
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0092 0.1136 0.0982
Loa Loa (eye worm) hypothetical protein 0.01 0.1264 0.4306
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0254 0.1394
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0118 0.0285
Brugia malayi Bromodomain containing protein 0.0079 0.0937 0.3021
Trichomonas vaginalis CAMK family protein kinase 0.0104 0.1313 1
Entamoeba histolytica acetyltransferase, GNAT family 0.0039 0.0328 0.0465
Brugia malayi N-terminal motif family protein 0.0182 0.2524 0.9273
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.022 0.1113
Schistosoma mansoni bromodomain containing protein 0.0128 0.1694 0.155
Schistosoma mansoni jumonji domain containing protein 0.0076 0.0891 0.0732
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0032 0.021 0.0152
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0071 0.0811 0.0651
Loa Loa (eye worm) hypothetical protein 0.0076 0.0885 0.2812
Schistosoma mansoni hypothetical protein 0.0341 0.4962 0.4874
Schistosoma mansoni methyl-cpg binding protein mbd 0.0034 0.0239 0.0069
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0083 0.0004
Loa Loa (eye worm) hypothetical protein 0.0034 0.0239 0.0266
Echinococcus granulosus tumor protein p63 0.033 0.4788 0.4697
Schistosoma mansoni zinc finger protein 0.003 0.0186 0.0015
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0122 0.0318
Schistosoma mansoni tar DNA-binding protein 0.0194 0.2708 0.2581
Trypanosoma cruzi target of rapamycin kinase 3 0.0035 0.0255 0.0616
Onchocerca volvulus Serine\/threonine kinase homolog 0.0104 0.1313 0.4854
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0044 0.0391 0.1825
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0035 0.0255 0.1941
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.0157 0.0599
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0182 0.2524 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.0391 0.2507
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0092 0.1136 0.0982
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0044 0.0391 0.1825
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0104 0.1313 0.4501
Schistosoma mansoni hypothetical protein 0.0032 0.021 0.0039
Loa Loa (eye worm) bromodomain containing protein 0.0038 0.0312 0.0557
Trichomonas vaginalis CAMK family protein kinase 0.0051 0.051 0.3469
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0104 0.1313 0.1162
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0104 0.1313 0.1162
Giardia lamblia Histone acetyltransferase GCN5 0.0039 0.0328 0.1377
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0092 0.1136 0.3805
Brugia malayi PHD-finger family protein 0.0053 0.0532 0.1422
Echinococcus granulosus histone lysine methyltransferase setb 0.0034 0.0239 0.0069
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0151 0.2043 0.1905
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0044 0.0391 0.0224
Schistosoma mansoni jumonji/arid domain-containing protein 0.0039 0.0323 0.0155
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0048 0.0455 1
Brugia malayi jmjC domain containing protein 0.0039 0.0323 0.0601
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0254 0.1394
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0096 0.1193 0.104
Echinococcus granulosus fetal alzheimer antigen falz 0.0044 0.0405 0.0238
Echinococcus multilocularis tar DNA binding protein 0.0194 0.2708 0.2581
Loa Loa (eye worm) hypothetical protein 0.0048 0.0464 0.1153
Trichomonas vaginalis CAMK family protein kinase 0.0104 0.1313 1
Loa Loa (eye worm) TAR-binding protein 0.0194 0.2708 1
Brugia malayi RNA binding protein 0.0194 0.2708 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0083 0.0004
Echinococcus granulosus lysine specific demethylase 5A 0.0039 0.0323 0.0155
Onchocerca volvulus 0.0048 0.0464 0.1243
Loa Loa (eye worm) hypothetical protein 0.0032 0.021 0.0152
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0092 0.1136 0.0982
Plasmodium falciparum histone acetyltransferase GCN5 0.0039 0.0328 1
Brugia malayi hypothetical protein 0.0036 0.028 0.0431
Loa Loa (eye worm) pigment dispersing factor receptor c 0.01 0.1264 0.4306
Schistosoma mansoni hypothetical protein 0.0341 0.4962 0.4874
Echinococcus granulosus jumonji domain containing protein 0.0041 0.0347 0.0179
Echinococcus granulosus histone acetyltransferase KAT2B 0.0048 0.0455 0.0289
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0044 0.0391 0.298
Schistosoma mansoni hypothetical protein 0.0041 0.0347 0.0179
Echinococcus multilocularis microtubule associated protein 2 0.0669 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.022 0.1113
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.028 0.0111
Brugia malayi TAR-binding protein 0.0194 0.2708 1
Giardia lamblia GTOR 0.0044 0.0391 0.1929
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0254 0.1394
Schistosoma mansoni hypothetical protein 0.0032 0.021 0.0039
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0044 0.0391 0.298
Echinococcus granulosus GPCR family 2 0.0032 0.021 0.0039
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0044 0.0391 0.0868
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0021 0.0039 0.0293
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0048 0.0455 1
Schistosoma mansoni microtubule-associated protein tau 0.0669 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0092 0.1136 0.0982
Echinococcus multilocularis lysine specific demethylase 5A 0.0035 0.0266 0.0096
Loa Loa (eye worm) hypothetical protein 0.005 0.0492 0.1265
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.022 0.1113
Loa Loa (eye worm) hypothetical protein 0.0182 0.2524 0.9273
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0122 0.0318
Trichomonas vaginalis CAMK family protein kinase 0.0104 0.1313 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0034 0.0239 0.0069
Brugia malayi RNA recognition motif domain containing protein 0.0194 0.2708 1
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0044 0.0391 0.0224
Brugia malayi Bromodomain containing protein 0.0152 0.2049 0.7403
Loa Loa (eye worm) acetyltransferase 0.0151 0.2043 0.7378
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0035 0.0255 0.0616
Brugia malayi Calcitonin receptor-like protein seb-1 0.01 0.1264 0.4306
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.022 0.1113
Schistosoma mansoni tar DNA-binding protein 0.0194 0.2708 0.2581
Schistosoma mansoni tar DNA-binding protein 0.0194 0.2708 0.2581
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0118 0.0285
Loa Loa (eye worm) hypothetical protein 0.0088 0.1069 0.354
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0044 0.0391 0.1075
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0092 0.1136 0.3805
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.0391 0.2507
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0121 0.1586 0.1439
Echinococcus multilocularis GPCR, family 2 0.0032 0.021 0.0039
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0122 0.0318
Loa Loa (eye worm) jmjC domain-containing protein 0.0039 0.0323 0.0601
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0104 0.1313 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0092 0.1136 0.0982
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0044 0.0391 0.1825
Loa Loa (eye worm) hypothetical protein 0.0069 0.0776 0.2383
Loa Loa (eye worm) jmjC domain-containing protein 0.006 0.0649 0.1885
Schistosoma mansoni zinc finger protein 0.0042 0.037 0.0203
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0293 0.1712
Echinococcus granulosus methyl CpG binding domain protein 2 0.0034 0.0239 0.0069
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0032 0.021 0.0039
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0194 0.2708 1
Trypanosoma brucei ISWI complex protein 0.003 0.0186 0.1413
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0071 0.0811 0.0651
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0096 0.1193 0.104
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.022 0.1113
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0044 0.0405 0.0238
Loa Loa (eye worm) hypothetical protein 0.014 0.1865 0.6675
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0239 0.0069
Schistosoma mansoni hypothetical protein 0.003 0.0186 0.0015
Schistosoma mansoni methyl-cpg binding protein mbd 0.0034 0.0239 0.0069
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.022 0.1113
Brugia malayi latrophilin 2 splice variant baaae 0.0069 0.0776 0.2383
Schistosoma mansoni hypothetical protein 0.0036 0.028 0.0111
Brugia malayi jmjC domain containing protein 0.0096 0.1193 0.4027
Trichomonas vaginalis CAMK family protein kinase 0.0104 0.1313 1
Brugia malayi serine/threonine-protein kinase plk-2 0.0104 0.1313 0.4501
Trichomonas vaginalis CAMK family protein kinase 0.0051 0.051 0.3469
Schistosoma mansoni tar DNA-binding protein 0.0194 0.2708 0.2581
Echinococcus multilocularis zinc finger protein 0.0042 0.037 0.0203
Entamoeba histolytica serine/threonine protein kinase, putative 0.0104 0.1313 1
Echinococcus multilocularis jumonji domain containing protein 0.0041 0.0347 0.0179
Loa Loa (eye worm) latrophilin receptor protein 2 0.0032 0.021 0.0152
Echinococcus multilocularis geminin 0.0341 0.4962 0.4874
Schistosoma mansoni hypothetical protein 0.0032 0.021 0.0039
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0044 0.0391 0.1075

Activities

No activities found for this compound.

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

No literature references available for this target.

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