Detailed information for compound 865998

Basic information

Technical information
  • TDR Targets ID: 865998
  • Name: 4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-N -[3-(trifluoromethyl)phenyl]phthalazin-1-amin e
  • MW: 528.546 | Formula: C26H23F3N4O3S
  • H donors: 1 H acceptors: 4 LogP: 4.66 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 2
  • SMILES: Cc1ccc(cc1S(=O)(=O)N1CCOCC1)c1nnc(c2c1cccc2)Nc1cccc(c1)C(F)(F)F
  • InChi: 1S/C26H23F3N4O3S/c1-17-9-10-18(15-23(17)37(34,35)33-11-13-36-14-12-33)24-21-7-2-3-8-22(21)25(32-31-24)30-20-6-4-5-19(16-20)26(27,28)29/h2-10,15-16H,11-14H2,1H3,(H,30,32)
  • InChiKey: FSHRFDYITIEENB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-(4-methyl-3-morpholinosulfonyl-phenyl)-N-[3-(trifluoromethyl)phenyl]phthalazin-1-amine
  • 4-(4-methyl-3-morpholinosulfonylphenyl)-N-[3-(trifluoromethyl)phenyl]-1-phthalazinamine
  • [4-(4-methyl-3-morpholinosulfonyl-phenyl)phthalazin-1-yl]-[3-(trifluoromethyl)phenyl]amine
  • 4-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)-N-[3-(trifluoromethyl)phenyl]phthalazin-1-amine
  • NCGC00141754-01
  • STK074529
  • EU-0013315

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Bacillus subtilis (strain 168) ATP-dependent Clp protease proteolytic subunit Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma japonicum ko:K06275 parvin, putative Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus multilocularis peptidase Clp (S14 family) Get druggable targets OG5_127187 All targets in OG5_127187
Theileria parva ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium yoelii ATP-dependent Clp protease, proteolytic subunit ClpP, putative Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus granulosus peptidase Clp S14 family Get druggable targets OG5_127187 All targets in OG5_127187
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127187 All targets in OG5_127187
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Treponema pallidum ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium knowlesi ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Neospora caninum ATP-dependent Clp protease proteolytic subunit, related Get druggable targets OG5_127187 All targets in OG5_127187
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni peptidase Clp (S14 family) Get druggable targets OG5_127187 All targets in OG5_127187
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) Get druggable targets OG5_127187 All targets in OG5_127187
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein Get druggable targets OG5_127187 All targets in OG5_127187
Babesia bovis ATP-dependent Clp protease proteolytic subunit 1, putative Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Probable ClpP-like protease Get druggable targets OG5_127187 All targets in OG5_127187
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Plasmodium berghei ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Theileria parva ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K01358 ATP-dependent Clp protease, protease subunit [EC3.4.21.92], putative Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit ATP-dependent Clp protease proteolytic subunit   197 aa 183 aa 36.1 %
Babesia bovis ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 188 aa 41.5 %
Babesia bovis ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 188 aa 41.5 %
Onchocerca volvulus Putative V-type proton ATPase subunit F ATP-dependent Clp protease proteolytic subunit   197 aa 194 aa 54.1 %
Plasmodium yoelii Clp protease ATP-dependent Clp protease proteolytic subunit   197 aa 183 aa 36.6 %
Treponema pallidum ATP-dependent Clp protease proteolytic subunit ATP-dependent Clp protease proteolytic subunit   197 aa 186 aa 40.3 %
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 189 aa 35.5 %
Plasmodium knowlesi ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 189 aa 36.0 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Plasmodium berghei ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 180 aa 36.7 %
Chlamydia trachomatis hypothetical protein ATP-dependent Clp protease proteolytic subunit   197 aa 171 aa 22.8 %
Schistosoma mansoni neuropeptide receptor ATP-dependent Clp protease proteolytic subunit   197 aa 174 aa 20.1 %
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 ATP-dependent Clp protease proteolytic subunit   197 aa 172 aa 57.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus leukotriene A 4 hydrolase 0.049 0.5404 0.5404
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0094 0.0797 1
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0094 0.0797 0.1919
Echinococcus multilocularis lamin dm0 0.0033 0.0076 0.0076
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.0026 0 0.5
Echinococcus multilocularis musashi 0.0033 0.0076 0.0076
Schistosoma mansoni peptidase Clp (S14 family) 0.0094 0.0797 0.0797
Trypanosoma cruzi aminopeptidase, putative 0.0026 0 0.5
Brugia malayi Probable ClpP-like protease 0.0094 0.0797 0.0797
Onchocerca volvulus Glycogen phosphorylase homolog 0.0885 1 1
Giardia lamblia Glycogen phosphorylase 0.0885 1 0.5
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0076 0.0076
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0026 0 0.5
Chlamydia trachomatis glycogen phosphorylase 0.0885 1 1
Echinococcus multilocularis glycogen phosphorylase 0.0885 1 1
Trichomonas vaginalis glycogen phosphorylase, putative 0.0885 1 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0076 0.0076
Loa Loa (eye worm) leukotriene A4 hydrolase 0.049 0.5404 0.5404
Entamoeba histolytica glycogen phosphorylase, putative 0.0383 0.4152 0.4152
Trypanosoma cruzi Aminopeptidase M1, putative 0.0026 0 0.5
Echinococcus multilocularis glycogen phosphorylase 0.0885 1 1
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0094 0.0797 0.1919
Leishmania major puromycin-sensitive aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0026 0 0.5
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.049 0.5404 0.5404
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0398 0.0398
Mycobacterium tuberculosis Probable glycogen phosphorylase GlgP 0.0383 0.4152 1
Echinococcus granulosus lamin dm0 0.0033 0.0076 0.0076
Echinococcus multilocularis lamin 0.0033 0.0076 0.0076
Loa Loa (eye worm) glycogen phosphorylase 0.0885 1 1
Brugia malayi hypothetical protein 0.0225 0.2321 0.2321
Schistosoma mansoni glycogen phosphorylase 0.0383 0.4152 0.4152
Entamoeba histolytica glycogen phosphorylase, putative 0.0383 0.4152 0.4152
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0094 0.0797 1
Echinococcus granulosus glycogen phosphorylase 0.0885 1 1
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0094 0.0797 1
Entamoeba histolytica glycogen phosphorylase, putative 0.0885 1 1
Trypanosoma brucei Aminopeptidase M1, putative 0.0026 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0041 0.0176 0.0176
Trypanosoma cruzi aminopeptidase, putative 0.0026 0 0.5
Onchocerca volvulus 0.0033 0.0076 0.0076
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.9402 0.9402
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.9402 0.9402
Echinococcus granulosus peptidase Clp S14 family 0.0062 0.0418 0.0418
Schistosoma mansoni intermediate filament proteins 0.0033 0.0076 0.0076
Toxoplasma gondii hypothetical protein 0.0033 0.0076 0.095
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0398 0.0398
Schistosoma mansoni glycogen phosphorylase 0.0885 1 1
Echinococcus granulosus lamin 0.0033 0.0076 0.0076
Loa Loa (eye worm) hypothetical protein 0.0033 0.0076 0.0076
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0062 0.0418 0.4744
Schistosoma mansoni lamin 0.0033 0.0076 0.0076
Echinococcus granulosus Glycosyl transferase family 35 0.0885 1 1
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0076 0.0076
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0094 0.0797 0.0797
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0094 0.0797 1
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0026 0 0.5
Echinococcus multilocularis leukotriene A 4 hydrolase 0.049 0.5404 0.5404
Loa Loa (eye worm) hypothetical protein 0.0094 0.0797 0.0797
Brugia malayi intermediate filament protein 0.0033 0.0076 0.0076
Schistosoma mansoni lamin 0.0033 0.0076 0.0076
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0094 0.0797 0.5
Trypanosoma brucei aminopeptidase, putative 0.0026 0 0.5
Echinococcus multilocularis Glycosyl transferase, family 35 0.0885 1 1
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0026 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0032 0.0069 0.0069
Trichomonas vaginalis glycogen phosphorylase, putative 0.0885 1 1
Echinococcus granulosus microtubule associated protein 2 0.0833 0.9402 0.9402
Echinococcus granulosus intermediate filament protein 0.0033 0.0076 0.0076
Trypanosoma brucei Aminopeptidase M1, putative 0.0026 0 0.5
Entamoeba histolytica glycogen phosphorylase, putative 0.0885 1 1
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0094 0.0797 1
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.0026 0 0.5
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0033 0.0076 0.095
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0094 0.0797 0.0797
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0398 0.0398
Onchocerca volvulus 0.0033 0.0076 0.0076
Echinococcus multilocularis peptidase Clp (S14 family) 0.0062 0.0418 0.0418
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0176 0.0176
Trypanosoma cruzi metallo-peptidase, Clan MA(E) Family M1 0.0026 0 0.5
Schistosoma mansoni hypothetical protein 0.0041 0.0176 0.0176
Echinococcus granulosus glycogen phosphorylase 0.0885 1 1
Entamoeba histolytica glycogenphosphorylase, putative 0.0383 0.4152 0.4152
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0026 0 0.5
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0033 0.0076 0.095
Mycobacterium ulcerans glycogen phosphorylase GlgP 0.0383 0.4152 1
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.0026 0 0.5
Schistosoma mansoni glycogen phosphorylase 0.0885 1 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0398 0.0398
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0094 0.0797 1
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0026 0 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 1.4125 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.6234 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 17.7828 um PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 19.9526 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 79.4328 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference

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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