Detailed information for compound 1573126

Basic information

Technical information
  • TDR Targets ID: 1573126
  • Name: 2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[3-(2 -oxopyrrolidin-1-yl)propyl]acetamide
  • MW: 372.415 | Formula: C20H24N2O5
  • H donors: 1 H acceptors: 3 LogP: 1.43 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(COc1ccc2c(c1C)oc(=O)cc2C)NCCCN1CCCC1=O
  • InChi: 1S/C20H24N2O5/c1-13-11-19(25)27-20-14(2)16(7-6-15(13)20)26-12-17(23)21-8-4-10-22-9-3-5-18(22)24/h6-7,11H,3-5,8-10,12H2,1-2H3,(H,21,23)
  • InChiKey: RTWXJHXXFPIQNI-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-(4,8-dimethyl-2-oxo-chromen-7-yl)oxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
  • 2-[(4,8-dimethyl-2-oxo-7-chromenyl)oxy]-N-[3-(2-oxo-1-pyrrolidinyl)propyl]acetamide
  • 2-(2-keto-4,8-dimethyl-chromen-7-yl)oxy-N-[3-(2-ketopyrrolidin-1-yl)propyl]acetamide
  • 2-(4,8-dimethyl-2-oxo-chromen-7-yl)oxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]ethanamide
  • ZINC06660144

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
Brugia malayi hypothetical protein 0.0042 0.0506 0.096
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.005 0.0674 0.5
Echinococcus granulosus lamin 0.0028 0.0192 0.0192
Echinococcus granulosus Polycystic kidney disease protein 0.0042 0.0506 0.0506
Echinococcus granulosus histone acetyltransferase KAT2B 0.005 0.0674 0.0674
Onchocerca volvulus Proteasomal ubiquitin receptor ADRM1 homolog 0.0165 0.3193 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0898 0.1705
Loa Loa (eye worm) hypothetical protein 0.006 0.0899 0.1707
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0898 0.1705
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.079 0.1195
Echinococcus multilocularis Polycystic kidney disease protein 0.0042 0.0506 0.0506
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0025 0.013 0.0197
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.007 0.1116 0.1116
Schistosoma mansoni polycystin 1-related 0.0042 0.0506 0.0766
Loa Loa (eye worm) acetyltransferase 0.0163 0.3152 0.5983
Loa Loa (eye worm) doublecortin family protein 0.0042 0.0506 0.096
Brugia malayi mbt repeat family protein 0.0053 0.0739 0.1404
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0482 0.0916
Brugia malayi acetyltransferase, GNAT family protein 0.0163 0.3152 0.5983
Schistosoma mansoni adhesion regulating molecule 1 (110 kD cell membrane glycoprotein) 0.026 0.5268 0.7974
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.079 0.1499
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0253 0.5097 0.5097
Loa Loa (eye worm) bromodomain containing protein 0.0024 0.0098 0.0186
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.006 0.0899 0.0899
Echinococcus multilocularis neuropeptide receptor A26 0.0477 1 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.0156 0.2996 0.2996
Echinococcus granulosus zinc finger protein 0.0026 0.0144 0.0144
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.0192 0.0364
Echinococcus granulosus neuropeptide receptor A26 0.0477 1 1
Echinococcus granulosus SAM and MBT domain containing protein 0.0053 0.0739 0.0739
Echinococcus granulosus histone acetyltransferase MYST2 0.006 0.0899 0.0899
Loa Loa (eye worm) hypothetical protein 0.0042 0.0506 0.096
Loa Loa (eye worm) hypothetical protein 0.0051 0.0703 0.1335
Echinococcus multilocularis SAM and MBT domain containing protein 0.0053 0.0739 0.0739
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.004 0.0454 0.0454
Echinococcus multilocularis adhesion regulating molecule 1 0.026 0.5268 0.5268
Loa Loa (eye worm) hypothetical protein 0.026 0.5268 1
Schistosoma mansoni hypothetical protein 0.0042 0.0506 0.0766
Schistosoma mansoni zinc finger protein 0.0026 0.0144 0.0219
Trypanosoma brucei proteasome complex subunit Rpn13 ubiquitin receptor, putative 0.0041 0.047 0.5
Toxoplasma gondii adhesion regulating molecule region protein, putative 0.026 0.5268 1
Echinococcus granulosus intermediate filament protein 0.0028 0.0192 0.0192
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.079 0.079
Brugia malayi intermediate filament protein 0.0028 0.0192 0.0364
Loa Loa (eye worm) hypothetical protein 0.0027 0.0181 0.0343
Brugia malayi mbt repeat family protein 0.0053 0.0739 0.1404
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0053 0.0739 0.1825
Schistosoma mansoni hypothetical protein 0.0041 0.0482 0.073
Echinococcus multilocularis histone acetyltransferase MYST2 0.006 0.0899 0.0899
Plasmodium falciparum 26S proteasome regulatory subunit RPN13, putative 0.0136 0.2545 1
Schistosoma mansoni hypothetical protein 0.0322 0.6606 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0513 0.0975
Trypanosoma cruzi proteasome complex subunit Rpn13 ubiquitin receptor, putative 0.0041 0.047 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.079 0.079
Schistosoma mansoni lipoxygenase 0.0253 0.5097 0.7715
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0898 0.1705
Trypanosoma cruzi proteasome complex subunit Rpn13 ubiquitin receptor, putative 0.0041 0.047 0.5
Echinococcus granulosus RUN 0.0042 0.0506 0.0506
Onchocerca volvulus 0.0053 0.0739 0.1825
Echinococcus granulosus lipoxygenase domain containing protein 0.0042 0.0506 0.0506
Leishmania major hypothetical protein, conserved 0.0136 0.2545 0.5
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.006 0.0899 0.1707
Loa Loa (eye worm) hypothetical protein 0.0049 0.0657 0.1247
Echinococcus multilocularis RUN 0.0042 0.0506 0.0506
Brugia malayi hypothetical protein 0.0042 0.0506 0.096
Trypanosoma cruzi proteasome complex subunit Rpn13 ubiquitin receptor, putative 0.0041 0.047 0.5
Echinococcus granulosus adhesion regulating molecule 1 0.026 0.5268 0.5268
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.0192 0.0364
Echinococcus multilocularis lamin dm0 0.0028 0.0192 0.0192
Schistosoma mansoni rab6-interacting 0.0042 0.0506 0.0766
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0025 0.013 0.013
Schistosoma mansoni loxhd1 0.0042 0.0506 0.0766
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.007 0.1116 0.1116
Echinococcus granulosus polycomb protein SCMH1 0.0053 0.0739 0.0739
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.079 0.1195
Schistosoma mansoni sex comb on midleg homolog 0.0053 0.0739 0.1119
Schistosoma mansoni lamin 0.0028 0.0192 0.029
Schistosoma mansoni bromodomain containing protein 0.0074 0.1203 0.1821
Loa Loa (eye worm) intermediate filament protein 0.0028 0.0192 0.0364
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.079 0.079
Entamoeba histolytica acetyltransferase, GNAT family 0.0043 0.0531 0.5
Brugia malayi Adhesion regulating molecule conserved region family protein 0.026 0.5268 1
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0253 0.5097 0.5097
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.006 0.0899 0.0899
Loa Loa (eye worm) hypothetical protein 0.0053 0.0739 0.1404
Brugia malayi PHD-finger family protein 0.0032 0.0274 0.0519
Trichomonas vaginalis bromodomain-containing protein, putative 0.005 0.0674 0.5
Plasmodium vivax multidomain scavenger receptor, putative 0.0042 0.0506 0.1779
Brugia malayi Doublecortin family protein 0.0042 0.0506 0.096
Loa Loa (eye worm) MBCTL1 0.006 0.0899 0.1707
Echinococcus multilocularis polycomb protein SCMH1 0.0053 0.0739 0.0739
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.079 0.1499
Schistosoma mansoni lipoxygenase 0.0177 0.3438 0.5204
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0053 0.0739 0.1119
Loa Loa (eye worm) hypothetical protein 0.0078 0.1297 0.2462
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0163 0.3152 0.3152
Schistosoma mansoni hypothetical protein 0.0023 0.0084 0.0127
Echinococcus multilocularis lamin 0.0028 0.0192 0.0192
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0898 0.1705
Echinococcus multilocularis musashi 0.0028 0.0192 0.0192
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0209 0.4136 0.4136
Plasmodium falciparum histone acetyltransferase GCN5 0.0043 0.0531 0.0121
Onchocerca volvulus 0.0042 0.0506 0.1047
Echinococcus granulosus lamin dm0 0.0028 0.0192 0.0192
Loa Loa (eye worm) hypothetical protein 0.0042 0.0506 0.096
Schistosoma mansoni sex comb on midleg homolog 0.0053 0.0739 0.1119
Brugia malayi Bromodomain containing protein 0.0046 0.0598 0.1135
Onchocerca volvulus 0.0042 0.0506 0.1047
Echinococcus multilocularis neuropeptide s receptor 0.0477 1 1
Giardia lamblia Histone acetyltransferase GCN5 0.0043 0.0531 0.5
Brugia malayi Bromodomain containing protein 0.0087 0.1487 0.2822
Echinococcus granulosus lipoxygenase domain containing protein 0.0042 0.0506 0.0506
Loa Loa (eye worm) hypothetical protein 0.0041 0.0482 0.0916
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.004 0.0454 0.0454
Loa Loa (eye worm) hypothetical protein 0.0028 0.0192 0.0364
Schistosoma mansoni myelin transcription factor 1 myt1 0.006 0.0899 0.1361
Echinococcus granulosus fetal alzheimer antigen falz 0.0025 0.013 0.013
Loa Loa (eye worm) mbt repeat family protein 0.0053 0.0739 0.1404
Schistosoma mansoni rab6-interacting 0.0042 0.0506 0.0766
Echinococcus multilocularis lipoxygenase domain containing protein 0.0042 0.0506 0.0506
Echinococcus multilocularis zinc finger protein 0.0026 0.0144 0.0144
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.079 0.079
Plasmodium vivax histone acetyltransferase GCN5, putative 0.005 0.0674 1
Loa Loa (eye worm) PHD-finger family protein 0.0023 0.0084 0.0159
Schistosoma mansoni intermediate filament proteins 0.0028 0.0192 0.029
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.079 0.1195
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0163 0.3152 0.4771
Schistosoma mansoni lamin 0.0028 0.0192 0.029
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0209 0.4136 0.4136
Trypanosoma brucei proteasome complex subunit Rpn13 ubiquitin receptor, putative 0.0041 0.047 0.5
Trypanosoma cruzi proteasome complex subunit Rpn13 ubiquitin receptor, putative 0.0041 0.047 0.5
Echinococcus multilocularis lipoxygenase domain containing protein 0.0042 0.0506 0.0506

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 18.526 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) 89.1251 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
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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