Detailed information for compound 1637233

Basic information

Technical information
  • TDR Targets ID: 1637233
  • Name: 5-(2,4-dichlorophenyl)-2-phenylsulfanylpyrida zino[6,1-f]pyrimidin-6-one
  • MW: 400.281 | Formula: C19H11Cl2N3OS
  • H donors: 0 H acceptors: 1 LogP: 5.41 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(c(c1)Cl)c1c(=O)ncn2c1ccc(n2)Sc1ccccc1
  • InChi: 1S/C19H11Cl2N3OS/c20-12-6-7-14(15(21)10-12)18-16-8-9-17(23-24(16)11-22-19(18)25)26-13-4-2-1-3-5-13/h1-11H
  • InChiKey: LNTUICABIFIINZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-(2,4-dichlorophenyl)-2-phenylsulfanyl-pyridazino[6,1-f]pyrimidin-6-one
  • 5-(2,4-dichlorophenyl)-2-(phenylthio)-6-pyridazino[6,1-f]pyrimidinone
  • 5-(2,4-dichlorophenyl)-2-(phenylthio)pyridazino[6,1-f]pyrimidin-6-one

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens mitogen-activated protein kinase 14 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K04441 p38 MAP kinase, putative Get druggable targets OG5_128610 All targets in OG5_128610
Leishmania major mitogen-activated protein kinase 3, putative,map kinase 3, putative Get druggable targets OG5_128610 All targets in OG5_128610
Loa Loa (eye worm) CMGC/MAPK/P38 protein kinase Get druggable targets OG5_128610 All targets in OG5_128610
Echinococcus multilocularis mitogen activated protein kinase 14 Get druggable targets OG5_128610 All targets in OG5_128610
Candida albicans MAP kinase involved in osmoregulation Get druggable targets OG5_128610 All targets in OG5_128610
Echinococcus multilocularis mitogen activated protein kinase 14 Get druggable targets OG5_128610 All targets in OG5_128610
Trypanosoma congolense mitogen-activated protein kinase 3, putative Get druggable targets OG5_128610 All targets in OG5_128610
Trypanosoma brucei mitogen-activated protein kinase 3, putative Get druggable targets OG5_128610 All targets in OG5_128610
Brugia malayi P38 map kinase family protein 2 Get druggable targets OG5_128610 All targets in OG5_128610
Leishmania donovani mitogen-activated protein kinase 3, putative Get druggable targets OG5_128610 All targets in OG5_128610
Trypanosoma cruzi mitogen-activated protein kinase 3, putative Get druggable targets OG5_128610 All targets in OG5_128610
Echinococcus multilocularis mitogen activated protein kinase 11 Get druggable targets OG5_128610 All targets in OG5_128610
Trypanosoma cruzi mitogen-activated protein kinase 3, putative Get druggable targets OG5_128610 All targets in OG5_128610
Leishmania infantum mitogen-activated protein kinase 3, putative,map kinase 3, putative Get druggable targets OG5_128610 All targets in OG5_128610
Trypanosoma brucei gambiense mitogen-activated protein kinase 3, putative Get druggable targets OG5_128610 All targets in OG5_128610
Echinococcus granulosus mitogen activated protein kinase 14 Get druggable targets OG5_128610 All targets in OG5_128610
Echinococcus granulosus mitogen activated protein kinase 11 Get druggable targets OG5_128610 All targets in OG5_128610
Echinococcus multilocularis mitogen activated protein kinase 11 Get druggable targets OG5_128610 All targets in OG5_128610
Leishmania braziliensis mitogen-activated protein kinase 3, putative,map kinase 3, putative Get druggable targets OG5_128610 All targets in OG5_128610
Candida albicans MAP kinase involved in osmoregulation Get druggable targets OG5_128610 All targets in OG5_128610
Leishmania mexicana mitogen-activated protein kinase 3, putative,map kinase 3, putative Get druggable targets OG5_128610 All targets in OG5_128610
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei mitogen-activated protein kinase 5 mitogen-activated protein kinase 14 360 aa 336 aa 33.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Onchocerca volvulus 0.0029 0.028 0.5
Schistosoma mansoni serine/threonine protein kinase 0.036 0.4425 0.8839
Brugia malayi hypothetical protein 0.0016 0.0126 0.0156
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.036 0.4425 1
Echinococcus multilocularis mitogen activated protein kinase 3 0.036 0.4425 0.4418
Echinococcus granulosus mitogen activated protein kinase 11 0.0155 0.1866 0.3713
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.036 0.4425 1
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0039 0.041 0.0663
Echinococcus multilocularis mitogen activated protein kinase 14 0.0155 0.1866 0.1857
Echinococcus granulosus mitogen activated protein kinase 0.036 0.4425 0.8837
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0039 0.041 0.0917
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.028 0.0633
Echinococcus granulosus zinc finger protein 0.0022 0.0201 0.0379
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0237 0.026
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0039 0.041 0.5
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0039 0.041 0.0663
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0039 0.041 0.5
Schistosoma mansoni hypothetical protein 0.0406 0.5006 1
Giardia lamblia Kinase, CMGC MAPK 0.036 0.4425 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0019 0.0156 0.0311
Trichomonas vaginalis CMGC family protein kinase 0.036 0.4425 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0038 0.0397 0.077
Echinococcus multilocularis zinc finger protein 0.0022 0.0201 0.019
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0034 0.0022
Echinococcus granulosus histone lysine methyltransferase setb 0.0019 0.0156 0.0288
Brugia malayi Bromodomain containing protein 0.004 0.0428 0.0848
Schistosoma mansoni zinc finger protein 0.0022 0.0201 0.0402
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0237 0.5
Echinococcus multilocularis mitogen activated protein kinase 11 0.0155 0.1866 0.1857
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.036 0.4425 1
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0025 0.0241 0.0481
Loa Loa (eye worm) CMGC/MAPK/P38 protein kinase 0.0155 0.1866 0.4218
Trypanosoma brucei protein kinase, putative 0.036 0.4425 1
Echinococcus granulosus mitogen activated protein kinase 14 0.0155 0.1866 0.3713
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.036 0.4425 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0061 0.068 0.1359
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.036 0.4425 1
Brugia malayi P38 map kinase family protein 2 0.0155 0.1866 0.4142
Echinococcus multilocularis mitogen activated protein kinase 0.036 0.4425 0.4418
Schistosoma mansoni hypothetical protein 0.0011 0.0064 0.0127
Echinococcus multilocularis mitogen activated protein kinase 14 0.0155 0.1866 0.1857
Loa Loa (eye worm) hypothetical protein 0.004 0.0429 0.0969
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0039 0.041 0.5
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0039 0.041 0.0663
Brugia malayi hypothetical protein 0.0025 0.0237 0.041
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0025 0.0241 0.0229
Schistosoma mansoni inositol monophosphatase 0.0039 0.041 0.0819
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.036 0.4425 1
Trichomonas vaginalis CMGC family protein kinase 0.036 0.4425 1
Leishmania major hypothetical protein, conserved 0.0025 0.0237 0.026
Echinococcus granulosus mitogen activated protein kinase 3 0.036 0.4425 0.8837
Schistosoma mansoni zinc finger protein 0.0016 0.0125 0.0249
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0064 0.073 0.1438
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0035 0.0359 0.5
Brugia malayi MAP kinase sur-1 0.036 0.4425 1
Echinococcus granulosus dnaJ subfamily B 0.0406 0.5006 1
Schistosoma mansoni cpg binding protein 0.0029 0.028 0.056
Schistosoma mansoni cpg binding protein 0.0032 0.0326 0.0651
Brugia malayi Inositol-1 0.0039 0.041 0.0807
Loa Loa (eye worm) hypothetical protein 0.0074 0.0855 0.1932
Echinococcus multilocularis inositol monophosphatase 1 0.0039 0.041 0.0398
Schistosoma mansoni hypothetical protein 0.0022 0.0195 0.039
Schistosoma mansoni cpg binding protein 0.0032 0.0326 0.0651
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0018 0.0148 0.0136
Loa Loa (eye worm) bromodomain containing protein 0.0019 0.0156 0.0353
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0019 0.0156 0.0311
Trypanosoma brucei mitogen-activated protein kinase 3, putative 0.0155 0.1866 0.405
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0038 0.0397 0.0385
Toxoplasma gondii histone lysine methyltransferase SET1 0.0057 0.0631 0.0941
Brugia malayi CXXC zinc finger family protein 0.0029 0.028 0.051
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0237 0.026
Loa Loa (eye worm) hypothetical protein 0.0019 0.0156 0.0352
Echinococcus granulosus fetal alzheimer antigen falz 0.0025 0.0241 0.0458
Echinococcus multilocularis cpg binding protein 0.0032 0.0326 0.0314
Loa Loa (eye worm) hypothetical protein 0.0047 0.0505 0.1142
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0035 0.0359 0.5
Loa Loa (eye worm) hypothetical protein 0.0043 0.046 0.1039
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.036 0.4425 1
Trichomonas vaginalis CMGC family protein kinase 0.036 0.4425 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0237 0.5
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 0.0155 0.1866 0.405
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.0012 0.0024
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0039 0.041 0.0917
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.036 0.4425 1
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0011 0.0064 0.0052
Loa Loa (eye worm) PHD-finger family protein 0.0022 0.0195 0.0441
Echinococcus multilocularis mitogen activated protein kinase 11 0.0155 0.1866 0.1857
Loa Loa (eye worm) inositol-1 0.0039 0.041 0.0926
Echinococcus granulosus cpg binding protein 0.0032 0.0326 0.0628
Schistosoma mansoni inositol monophosphatase 0.0039 0.041 0.0819
Echinococcus granulosus methyl CpG binding domain protein 2 0.0018 0.0148 0.0272
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.036 0.4425 1
Brugia malayi PHD-finger family protein 0.0028 0.0272 0.0491
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0011 0.0064 0.0104
Schistosoma mansoni bromodomain containing protein 0.0068 0.0777 0.1552
Schistosoma mansoni methyl-cpg binding protein mbd 0.0018 0.0148 0.0295
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 0.0155 0.1866 0.405
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0039 0.041 0.0414
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0237 0.026
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0034 0.0076
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0019 0.0156 0.0144
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0034 0.0044
Leishmania major mitogen-activated protein kinase 3, putative,map kinase 3, putative 0.0155 0.1866 0.405
Schistosoma mansoni hypothetical protein 0.0016 0.0125 0.0249
Echinococcus granulosus inositol monophosphatase 1 0.0039 0.041 0.0797
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0064 0.073 0.0719
Loa Loa (eye worm) hypothetical protein 0.0025 0.0237 0.0535
Trichomonas vaginalis inositol monophosphatase, putative 0.0039 0.041 0.0917
Trichomonas vaginalis CMGC family protein kinase 0.036 0.4425 1
Brugia malayi Bromodomain containing protein 0.0081 0.0931 0.2001
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0039 0.041 0.0663
Echinococcus multilocularis dnaJ subfamily B 0.0406 0.5006 0.5
Schistosoma mansoni methyl-cpg binding protein mbd 0.0018 0.0148 0.0295
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0237 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 5 uM Inhibition of p38alpha kinase using KRELVEPLTPSGEAPNQALLR as substrate for 20 mins by lactate dehydrogenase-coupled spectrophotometric assay ChEMBL. 24900264
IC50 (binding) = 20 uM Inhibition of p38alpha in human PBMC assessed as inhibition of LPS-induced IL1beta production after 16 to 18 hrs by ELISA ChEMBL. 24900264
IC50 (binding) = 20 uM Inhibition of p38alpha in human PBMC assessed as inhibition of LPS-induced TNFalpha production after 16 to 18 hrs by ELISA ChEMBL. 24900264

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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