Detailed information for compound 1286777

Basic information

Technical information
  • TDR Targets ID: 1286777
  • Name: 2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[3-(2 -oxopyrrolidin-1-yl)propyl]propanamide
  • MW: 386.442 | Formula: C21H26N2O5
  • H donors: 1 H acceptors: 3 LogP: 1.83 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C(Oc1ccc2c(c1C)oc(=O)cc2C)C)NCCCN1CCCC1=O
  • InChi: 1S/C21H26N2O5/c1-13-12-19(25)28-20-14(2)17(8-7-16(13)20)27-15(3)21(26)22-9-5-11-23-10-4-6-18(23)24/h7-8,12,15H,4-6,9-11H2,1-3H3,(H,22,26)
  • InChiKey: OHTSLANPOODUIA-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

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

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %

Obtained from network model

Ranking Plot


Putative Targets List


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

Activities

Activity type Activity value Assay description Source Reference
AC50 (binding) 30 uM PubChem BioAssay. MLPCN SirT-5 Measured in Biochemical System Using Imaging - 7044-01_Inhibitor_Dose_CherryPick_Activity_Set5. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.1254 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 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
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

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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