Detailed information for compound 1549675

Basic information

Technical information
  • TDR Targets ID: 1549675
  • Name: 1-(oxolan-2-ylmethoxy)-4-phenylphthalazine
  • MW: 306.358 | Formula: C19H18N2O2
  • H donors: 0 H acceptors: 2 LogP: 3.47 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: C1COC(C1)COc1nnc(c2c1cccc2)c1ccccc1
  • InChi: 1S/C19H18N2O2/c1-2-7-14(8-3-1)18-16-10-4-5-11-17(16)19(21-20-18)23-13-15-9-6-12-22-15/h1-5,7-8,10-11,15H,6,9,12-13H2
  • InChiKey: YQSBXKRJTUXTJL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-phenyl-4-(tetrahydrofuran-2-ylmethoxy)phthalazine
  • 1-phenyl-4-(2-tetrahydrofuranylmethoxy)phthalazine
  • 1-phenyl-4-(tetrahydrofurfuryloxy)phthalazine
  • 1-(oxolan-2-ylmethoxy)-4-phenyl-phthalazine
  • 1-phenyl-4-(tetrahydro-2-furanylmethoxy)phthalazine
  • IDI1_023710
  • ChemDiv3_005800
  • SMR000293129
  • MLS000662227
  • STOCK4S-22121

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
Trypanosoma cruzi GUP1, putative 0.0629 0.1708 1
Schistosoma mansoni zinc finger protein 0.0629 0.1708 0.1708
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0041 0.008 0.008
Leishmania major glycerol uptake protein, putative 0.0629 0.1708 1
Trichomonas vaginalis conserved hypothetical protein 0.0629 0.1708 1
Brugia malayi MBOAT family protein 0.0629 0.1708 0.1708
Loa Loa (eye worm) hypothetical protein 0.0629 0.1708 0.1708
Trypanosoma cruzi glycerol uptake protein, putative 0.0629 0.1708 1
Plasmodium falciparum diacylglycerol O-acyltransferase 0.3628 1 0.5
Echinococcus granulosus o acyltransferase membrane bound domain 0.0629 0.1708 0.1708
Brugia malayi MBOAT family protein 0.0629 0.1708 0.1708
Echinococcus granulosus diacylglycerol O acyltransferase 1 0.3628 1 1
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0041 0.008 0.008
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0629 0.1708 0.1708
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0629 0.1708 0.1708
Schistosoma mansoni diacylglycerol O-acyltransferase 0.002 0.0022 0.0022
Loa Loa (eye worm) diacylglycerol acyltransferase 0.3628 1 1
Brugia malayi MBOAT family protein 0.0629 0.1708 0.1708
Entamoeba histolytica hypothetical protein 0.0629 0.1708 0.5
Echinococcus multilocularis lysophospholipid acyltransferase 7 0.0629 0.1708 0.1708
Schistosoma mansoni diacylglycerol O-acyltransferase 1 0.3628 1 1
Onchocerca volvulus 0.0629 0.1708 1
Leishmania major diacylglycerol acyltransferase, putative 0.009 0.0215 0.1145
Echinococcus granulosus Membrane bound O acyl transferase MBOAT 0.0629 0.1708 0.1708
Trypanosoma brucei diacylglycerol acyltransferase, putative 0.009 0.0215 0.1145
Loa Loa (eye worm) MBOAT family protein 0.0629 0.1708 0.1708
Trypanosoma cruzi glycerol uptake protein, putative 0.0629 0.1708 1
Loa Loa (eye worm) membrane bound O-acyltransferase domain containing 1 0.0629 0.1708 0.1708
Mycobacterium ulcerans hypothetical protein 0.002 0.0022 0.5
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0629 0.1708 0.5
Echinococcus multilocularis sterol O acyltransferase 1 0.0848 0.2311 0.2311
Loa Loa (eye worm) diacylglycerol acyltransferase 0.009 0.0215 0.0215
Loa Loa (eye worm) hypothetical protein 0.0218 0.0571 0.0571
Trypanosoma brucei glycerol uptake protein, putative 0.0629 0.1708 1
Schistosoma mansoni diacylglycerol O-acyltransferase 1 0.009 0.0215 0.0215
Trichomonas vaginalis transmembrane protein nessy, putative 0.0629 0.1708 1
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0629 0.1708 0.1708
Toxoplasma gondii acyl-CoA:cholesterol acyltransferase alpha ACAT1-alpha 0.3628 1 1
Loa Loa (eye worm) hhat protein 0.0629 0.1708 0.1708
Schistosoma mansoni leukocyte receptor cluster (lrc) member 4 protein 0.0629 0.1708 0.1708
Echinococcus granulosus o acyltransferase membrane bound domain 0.0629 0.1708 0.1708
Entamoeba histolytica vacuolar protein sorting 26 0.0629 0.1708 0.5
Brugia malayi MBOAT family protein 0.0629 0.1708 0.1708
Leishmania major hypothetical protein, conserved 0.0629 0.1708 1
Echinococcus granulosus membrane bound acyltransferase:hhat 0.0629 0.1708 0.1708
Leishmania major glycerol uptake protein, putative 0.0629 0.1708 1
Trichomonas vaginalis conserved hypothetical protein 0.0629 0.1708 1
Toxoplasma gondii hypothetical protein 0.0629 0.1708 0.1689
Trypanosoma cruzi glycerol uptake protein, putative 0.0629 0.1708 1
Brugia malayi Hhat protein 0.0629 0.1708 0.1708
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0041 0.008 0.008
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0629 0.1708 0.1708
Trichomonas vaginalis conserved hypothetical protein 0.0629 0.1708 1
Loa Loa (eye worm) hypothetical protein 0.0629 0.1708 0.1708
Brugia malayi diacylglycerol acyltransferase family protein 0.009 0.0215 0.0215
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0629 0.1708 0.1708
Schistosoma mansoni hypothetical protein 0.002 0.0022 0.0022
Echinococcus multilocularis diacylglycerol O acyltransferase 1 0.3628 1 1
Echinococcus granulosus lysophospholipid acyltransferase 7 0.0629 0.1708 0.1708
Leishmania major glycerol uptake protein, putative 0.0629 0.1708 1
Loa Loa (eye worm) MBOAT family protein 0.0629 0.1708 0.1708
Echinococcus multilocularis protein cysteine N palmitoyltransferase 0.0629 0.1708 0.1708
Echinococcus granulosus sterol O acyltransferase 1 0.0848 0.2311 0.2311
Loa Loa (eye worm) hypothetical protein 0.0629 0.1708 0.1708
Schistosoma mansoni hypothetical protein 0.0629 0.1708 0.1708
Trypanosoma cruzi GUP1, putative 0.0629 0.1708 1
Loa Loa (eye worm) hhat protein 0.0629 0.1708 0.1708
Toxoplasma gondii acyl-CoA:diacylglycerol acyltransferase 1-related enzyme 0.3628 1 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0065 0.0065
Echinococcus multilocularis Membrane bound O acyl transferase, MBOAT 0.0629 0.1708 0.1708
Trichomonas vaginalis porcupine, putative 0.0629 0.1708 1
Trypanosoma cruzi diacylglycerol acyltransferase, putative 0.009 0.0215 0.1145
Loa Loa (eye worm) hypothetical protein 0.0848 0.2311 0.2311
Schistosoma mansoni sterol O-acyltransferase 1 0.0848 0.2311 0.2311
Entamoeba histolytica hypothetical protein, conserved 0.0629 0.1708 0.5
Loa Loa (eye worm) hypothetical protein 0.2999 0.8259 0.8259
Schistosoma mansoni membrane-bound acyltransferase/hhat 0.0629 0.1708 0.1708
Leishmania major glycerol uptake protein, putative 0.0629 0.1708 1
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0041 0.008 0.008
Schistosoma mansoni voltage-gated potassium channel 0.0045 0.0091 0.0091
Plasmodium vivax diacylglycerol O-acyltransferase, putative 0.3628 1 0.5
Loa Loa (eye worm) MBOAT family protein 0.0629 0.1708 0.1708
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0629 0.1708 0.1708
Schistosoma mansoni diacylglycerol O-acyltransferase 0.002 0.0022 0.0022
Trypanosoma cruzi diacylglycerol acyltransferase, putative 0.009 0.0215 0.1145
Echinococcus granulosus o acyltransferase membrane bound domain 0.0629 0.1708 0.1708
Toxoplasma gondii dgat2l1-prov protein 0.009 0.0215 0.0193
Brugia malayi MBOAT family protein 0.0629 0.1708 0.1708
Leishmania major glycerol uptake protein, putative 0.0629 0.1708 1
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0629 0.1708 0.5
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0629 0.1708 0.5
Schistosoma mansoni voltage-gated potassium channel 0.0045 0.0091 0.0091
Echinococcus granulosus protein cysteine N palmitoyltransferase 0.0629 0.1708 0.1708
Treponema pallidum alginate O-acetylation protein (algI) 0.0629 0.1708 0.5
Trypanosoma brucei glycerol uptake protein, putative 0.0629 0.1708 1
Echinococcus multilocularis membrane bound acyltransferase:hhat 0.0629 0.1708 0.1708

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 5.6234 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 14.7157 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 (functional) 23.9341 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
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.

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