Detailed information for compound 1375226

Basic information

Technical information
  • TDR Targets ID: 1375226
  • Name: 2-(4-methoxyphenoxy)-N-[5-(3-methyl-4-oxophth alazin-1-yl)-2-morpholin-4-ylphenyl]acetamide
  • MW: 500.546 | Formula: C28H28N4O5
  • H donors: 1 H acceptors: 2 LogP: 3.45 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 2
  • SMILES: COc1ccc(cc1)OCC(=O)Nc1cc(ccc1N1CCOCC1)c1nn(C)c(=O)c2c1cccc2
  • InChi: 1S/C28H28N4O5/c1-31-28(34)23-6-4-3-5-22(23)27(30-31)19-7-12-25(32-13-15-36-16-14-32)24(17-19)29-26(33)18-37-21-10-8-20(35-2)9-11-21/h3-12,17H,13-16,18H2,1-2H3,(H,29,33)
  • InChiKey: MIUNZUXIUVUVNI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-(4-methoxyphenoxy)-N-[5-(3-methyl-4-oxo-phthalazin-1-yl)-2-morpholino-phenyl]acetamide
  • 2-(4-methoxyphenoxy)-N-[5-(3-methyl-4-oxo-1-phthalazinyl)-2-morpholinophenyl]acetamide
  • N-[5-(4-keto-3-methyl-phthalazin-1-yl)-2-morpholino-phenyl]-2-(4-methoxyphenoxy)acetamide
  • 2-(4-methoxyphenoxy)-N-[5-(3-methyl-4-oxo-phthalazin-1-yl)-2-morpholin-4-yl-phenyl]ethanamide
  • SMR000433963
  • MLS000769229
  • 2-(4-Methoxy-phenoxy)-N-[5-(3-methyl-4-oxo-3,4-dihydro-phthalazin-1-yl)-2-morpholin-4-yl-phenyl]-acet amide
  • STOCK3S-62436

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
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
Mycobacterium ulcerans cytochrome P450 140A5 Cyp140A5 0.0008 0.0005 0.0023
Leishmania major 4-coumarate:coa ligase-like protein 0.0028 0.0718 0.3323
Echinococcus granulosus cytochrome P450 2K1 0.0008 0.0005 0.0011
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0008 0.0005 0.0023
Loa Loa (eye worm) cytochrome P450 family protein 0.0008 0.0005 0.0006
Mycobacterium ulcerans cytochrome P450 143A4 Cyp143A4 0.0008 0.0005 0.0023
Loa Loa (eye worm) hypothetical protein 0.0036 0.0999 0.1142
Loa Loa (eye worm) CYP4Cod1 0.0008 0.0005 0.0006
Plasmodium vivax SET domain protein, putative 0.0036 0.0999 1
Mycobacterium ulcerans cytochrome P450 150A6 Cyp150A6 0.0008 0.0005 0.0023
Schistosoma mansoni lipoxygenase 0.0141 0.476 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0028 0.0718 0.3323
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0141 0.476 1
Brugia malayi hypothetical protein 0.0023 0.0547 0.0625
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.0008 0.0005 0.0023
Mycobacterium ulcerans cytochrome P450 142A3 Cyp142A3 0.0008 0.0005 0.0023
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0008 0.0005 1
Trichomonas vaginalis protein phosphatase 2C delta isoform, putative 0.0114 0.3811 0.3811
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0008 0.0005 0.0023
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0028 0.0718 0.3323
Trichomonas vaginalis set domain proteins, putative 0.0286 1 1
Leishmania major cytochrome p450-like protein 0.0008 0.0005 0.0023
Brugia malayi cytochrome P450 0.0008 0.0005 0.0006
Entamoeba histolytica acyl-CoA synthetase, putative 0.0028 0.0718 0.1885
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0999 0.2099
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0028 0.0718 1
Trichomonas vaginalis protein phosphatase 2C, putative 0.0114 0.3811 0.3811
Leishmania major cytochrome p450-like protein 0.0008 0.0005 0.0023
Loa Loa (eye worm) hypothetical protein 0.0021 0.0461 0.0527
Brugia malayi Pre-SET motif family protein 0.0036 0.0999 0.1142
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0008 0.0005 0.0023
Toxoplasma gondii cytochrome p450 superfamily protein 0.0008 0.0005 0.005
Echinococcus multilocularis lipoxygenase domain containing protein 0.0023 0.0547 0.1149
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0008 0.0005 0.0023
Loa Loa (eye worm) cytochrome P450 family protein 0.0054 0.1642 0.1876
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0008 0.0005 0.0023
Mycobacterium ulcerans cytochrome P450 187A4 Cyp187A4 0.0008 0.0005 0.0023
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0068 0.2162 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0718 0.0821
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0008 0.0005 0.0023
Brugia malayi Cytochrome P450 family protein 0.0008 0.0005 0.0006
Mycobacterium ulcerans cytochrome P450 126A3 Cyp126A3 0.0008 0.0005 0.0023
Loa Loa (eye worm) doublecortin family protein 0.0023 0.0547 0.0625
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0064 0.1996 0.2281
Echinococcus multilocularis lipoxygenase domain containing protein 0.0023 0.0547 0.1149
Mycobacterium ulcerans cytochrome P450 191A3 Cyp191A3 0.0008 0.0005 0.0023
Loa Loa (eye worm) hypothetical protein 0.0021 0.0461 0.0527
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0999 1
Echinococcus multilocularis Polycystic kidney disease protein 0.0023 0.0547 0.1149
Loa Loa (eye worm) hypothetical protein 0.0023 0.0547 0.0625
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0999 0.2099
Mycobacterium ulcerans acyl-CoA synthetase 0.0028 0.0718 0.3323
Loa Loa (eye worm) hypothetical protein 0.0023 0.0547 0.0625
Loa Loa (eye worm) cytochrome P450 0.0008 0.0005 0.0006
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0068 0.2162 1
Mycobacterium ulcerans cytochrome P450 144A4 Cyp144A4 0.0008 0.0005 0.0023
Echinococcus multilocularis 0.0008 0.0005 0.0011
Schistosoma mansoni rab6-interacting 0.0023 0.0547 0.1149
Mycobacterium ulcerans cytochrome P450 187A5 Cyp187A5 0.0008 0.0005 0.0023
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0008 0.0005 1
Brugia malayi AMP-binding enzyme family protein 0.0028 0.0718 0.0821
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0068 0.2162 1
Mycobacterium ulcerans cytochrome P450 105Q4 Cyp105Q4 0.0008 0.0005 0.0023
Schistosoma mansoni hypothetical protein 0.0008 0.0005 0.0011
Loa Loa (eye worm) hypothetical protein 0.0021 0.0461 0.0527
Brugia malayi Cytochrome P450 family protein 0.0008 0.0005 0.0006
Mycobacterium leprae Conserved hypothetical protein 0.0008 0.0005 0.007
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0028 0.0718 1
Echinococcus granulosus lipoxygenase domain containing protein 0.0023 0.0547 0.1149
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0008 0.0005 0.0023
Plasmodium vivax multidomain scavenger receptor, putative 0.0023 0.0547 0.5475
Mycobacterium ulcerans acyl-CoA synthetase 0.0028 0.0718 0.3323
Trypanosoma brucei cytochrome P450, putative 0.0008 0.0005 1
Plasmodium vivax acyl-CoA synthetase, putative 0.0021 0.0461 0.4616
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0021 0.0461 0.2133
Mycobacterium ulcerans acyl-CoA synthetase 0.0028 0.0718 0.3323
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0068 0.2162 0.2471
Entamoeba histolytica leucine rich repeat / protein phosphatase 2C domain containing protein 0.0114 0.3811 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.002 0.042 0.1942
Brugia malayi AMP-binding enzyme family protein 0.0028 0.0718 0.0821
Brugia malayi Cytochrome P450 family protein 0.0008 0.0005 0.0006
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0999 0.2099
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0008 0.0005 0.0023
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0028 0.0718 0.3323
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0008 0.0005 1
Plasmodium falciparum acyl-CoA synthetase 0.0021 0.0461 0.8431
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0068 0.2162 1
Schistosoma mansoni hypothetical protein 0.0023 0.0547 0.1149
Entamoeba histolytica acyl-CoA synthetase, putative 0.0028 0.0718 0.1885
Trichomonas vaginalis protein phosphatase type 2C, putative 0.0114 0.3811 0.3811
Schistosoma mansoni rab6-interacting 0.0023 0.0547 0.1149
Loa Loa (eye worm) hypothetical protein 0.0021 0.0461 0.0527
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0008 0.0005 0.0023
Echinococcus granulosus lipoxygenase domain containing protein 0.0023 0.0547 0.1149
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0008 0.0005 0.0023
Echinococcus granulosus RUN 0.0023 0.0547 0.1149
Entamoeba histolytica acyl-coA synthetase, putative 0.0028 0.0718 0.1885
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0008 0.0005 0.0023
Mycobacterium ulcerans hypothetical protein 0.0028 0.0718 0.3323
Brugia malayi Cytochrome P450 family protein 0.0054 0.1642 0.1876
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0008 0.0005 0.0023
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.875 1
Schistosoma mansoni loxhd1 0.0023 0.0547 0.1149
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0008 0.0005 0.0023
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0999 0.2099
Schistosoma mansoni lipoxygenase 0.0098 0.3238 0.6802
Onchocerca volvulus 0.0028 0.0718 0.0718
Brugia malayi hypothetical protein 0.0023 0.0547 0.0625
Plasmodium falciparum LCCL domain-containing protein 0.0023 0.0547 1
Echinococcus granulosus Polycystic kidney disease protein 0.0023 0.0547 0.1149
Brugia malayi Doublecortin family protein 0.0023 0.0547 0.0625
Mycobacterium ulcerans cytochrome P450 125A7 Cyp125A7 0.0008 0.0005 0.0023
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0028 0.0718 0.3323
Mycobacterium ulcerans cytochrome P450 108B4 Cyp108B4 0.0008 0.0005 0.0023
Mycobacterium ulcerans cytochrome P450 143A3 Cyp143A3 0.0008 0.0005 0.0023
Trypanosoma cruzi cytochrome P450, putative 0.0008 0.0005 1
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0008 0.0005 0.0023
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0008 0.0005 0.0023
Mycobacterium ulcerans cytochrome P450 188A3 Cyp188A3 0.0008 0.0005 0.0023
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0008 0.0005 0.0023
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0068 0.2162 0.4542
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0008 0.0005 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0028 0.0718 0.3323
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0008 0.0005 0.0023
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0008 0.0005 0.0023
Mycobacterium ulcerans cytochrome P450 189A7 Cyp189A7 0.0008 0.0005 0.0023
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0068 0.2162 0.4542
Mycobacterium ulcerans cytochrome P450 136A2 Cyp136A2 0.0008 0.0005 0.0023
Loa Loa (eye worm) hypothetical protein 0.0028 0.0718 0.0821
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0028 0.0718 0.3323
Brugia malayi Pre-SET motif family protein 0.0251 0.875 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0999 0.2099
Loa Loa (eye worm) hypothetical protein 0.0028 0.0718 0.0821
Loa Loa (eye worm) cytochrome P450 family protein 0.0008 0.0005 0.0006
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0068 0.2162 0.4542
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0952 0.1999
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0028 0.0718 0.3323
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0141 0.476 1
Schistosoma mansoni polycystin 1-related 0.0023 0.0547 0.1149
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0008 0.0005 0.0023
Loa Loa (eye worm) hypothetical protein 0.0021 0.0461 0.0527
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.002 0.042 0.1942
Mycobacterium ulcerans cytochrome P450 124A1, Cyp124A1 0.0008 0.0005 0.0023
Mycobacterium ulcerans cytochrome p450 150 cyp150 0.0008 0.0005 0.0023
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0999 0.2099
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0999 0.2099
Onchocerca volvulus 0.0023 0.0547 0.0547
Leishmania major cytochrome p450-like protein 0.0008 0.0005 0.0023
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0008 0.0005 0.0023
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0008 0.0005 0.0023
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.002 0.042 0.1942
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.002 0.042 0.1942
Echinococcus multilocularis RUN 0.0023 0.0547 0.1149
Onchocerca volvulus 0.0023 0.0547 0.0547
Onchocerca volvulus 0.0013 0.0166 0.0166
Loa Loa (eye worm) hypothetical protein 0.0114 0.3805 0.4348
Onchocerca volvulus 0.0036 0.0999 0.0999
Brugia malayi AMP-binding enzyme family protein 0.0028 0.0718 0.0821
Mycobacterium leprae putative cytochrome p450 0.0008 0.0005 0.007
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0028 0.0718 0.3323
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0021 0.0461 0.5
Trypanosoma cruzi cytochrome P450, putative 0.0008 0.0005 1
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0021 0.0461 0.2133
Mycobacterium ulcerans cytochrome P450 123A3 Cyp123A3 0.0008 0.0005 0.0023
Schistosoma mansoni cytochrome P450 0.0008 0.0005 0.0011
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0008 0.0005 0.0023

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.1 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 3.2944 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 5.8584 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (binding) = 28.1838 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 158.4893 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the Phosphatase Activity of Eya2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488939] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum 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.