Detailed information for compound 620768

Basic information

Technical information
  • TDR Targets ID: 620768
  • Name: methyl 2-[3-(3,4-dimethoxyphenyl)-2-oxochrome n-7-yl]oxypropanoate
  • MW: 384.379 | Formula: C21H20O7
  • H donors: 0 H acceptors: 2 LogP: 3.78 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)C(Oc1ccc2c(c1)oc(=O)c(c2)c1ccc(c(c1)OC)OC)C
  • InChi: 1S/C21H20O7/c1-12(20(22)26-4)27-15-7-5-14-9-16(21(23)28-18(14)11-15)13-6-8-17(24-2)19(10-13)25-3/h5-12H,1-4H3
  • InChiKey: PAIGCABXKKIXCP-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • methyl 2-[3-(3,4-dimethoxyphenyl)-2-oxo-chromen-7-yl]oxypropanoate
  • 2-[[3-(3,4-dimethoxyphenyl)-2-oxo-7-chromenyl]oxy]propanoic acid methyl ester
  • 2-[3-(3,4-dimethoxyphenyl)-2-keto-chromen-7-yl]oxypropionic acid methyl ester

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
Leishmania major protein kinase, putative 0.0034 0.0544 0.7919
Trypanosoma brucei glucose transporter, putative 0.0035 0.0554 0.8107
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0034 0.0544 0.0596
Trypanosoma brucei glucose transporter 1E 0.0035 0.0554 0.8107
Schistosoma mansoni protein kinase 0.0034 0.0544 0.08
Schistosoma mansoni glucose transport protein 0.0112 0.221 0.415
Plasmodium vivax calcium-dependent protein kinase 1, putative 0.0034 0.0545 0.0404
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0034 0.0544 0.0596
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0112 0.221 0.3094
Trypanosoma brucei bifunctional aminoacyl-tRNA synthetase, putative 0.0039 0.0649 1
Trichomonas vaginalis prolyl-tRNA synthetase, putative 0.0034 0.053 0.1855
Loa Loa (eye worm) CAMK/CAMK2 protein kinase 0.0034 0.0544 0.1063
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0034 0.053 0.077
Schistosoma mansoni glucose transport protein 0.0112 0.221 0.415
Leishmania major glucose transporter/membrane transporter D2, putative 0.0035 0.0554 0.8107
Plasmodium falciparum lysine--tRNA ligase 0.0025 0.0345 0.0201
Loa Loa (eye worm) hypothetical protein 0.0016 0.0147 0.0287
Toxoplasma gondii cell-cycle-associated protein kinase MAPK, putative 0.0181 0.3689 0.5495
Trichomonas vaginalis sugar transporter, putative 0.0035 0.0554 0.1973
Loa Loa (eye worm) calcium/calmodulin-dependent protein kinase ID 0.0034 0.0544 0.1063
Trypanosoma brucei lysyl-tRNA synthetase, putative 0.0025 0.0345 0.395
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0034 0.0544 0.0596
Brugia malayi MH1 domain containing protein 0.0016 0.0154 0.0301
Plasmodium falciparum hexose transporter 0.0112 0.221 0.2094
Echinococcus multilocularis GPCR, family 2 0.0031 0.0465 0.0477
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0112 0.221 0.3094
Loa Loa (eye worm) sugar transporter 0.0016 0.0147 0.0287
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0034 0.0544 0.0596
Echinococcus granulosus calcium dependent protein kinase 0.0032 0.0499 0.0528
Plasmodium vivax calcium-dependent protein kinase, putative 0.0034 0.0545 0.0404
Loa Loa (eye worm) hypothetical protein 0.0016 0.0147 0.0287
Trypanosoma brucei glucose transporter, putative 0.0035 0.0554 0.8107
Schistosoma mansoni lysyl-tRNA synthetase 0.0025 0.0345 0.0399
Brugia malayi MH2 domain containing protein 0.0237 0.4873 0.9518
Plasmodium vivax mitogen-activated protein kinase 2, putative 0.0181 0.3689 0.3595
Toxoplasma gondii protein kinase, putative 0.0317 0.6593 1
Loa Loa (eye worm) hypothetical protein 0.0066 0.1226 0.2394
Plasmodium vivax hexose transporter 0.0112 0.221 0.2094
Trichomonas vaginalis sugar transporter, putative 0.0035 0.0554 0.1973
Brugia malayi MH1 domain containing protein 0.0016 0.0154 0.0301
Trypanosoma cruzi lysyl-tRNA synthetase, putative 0.0025 0.0345 0.395
Schistosoma mansoni hypothetical protein 0.0066 0.1226 0.2169
Brugia malayi bifunctional aminoacyl-tRNA synthetase 0.0034 0.053 0.1034
Echinococcus granulosus tar DNA binding protein 0.0248 0.5119 0.7456
Brugia malayi Calcitonin receptor-like protein seb-1 0.0097 0.1881 0.3675
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0248 0.5119 1
Entamoeba histolytica prolyl-tRNA synthetase, putative 0.0034 0.053 0.9253
Echinococcus granulosus GPCR family 2 0.0031 0.0465 0.0477
Trypanosoma cruzi hexose transporter, putative 0.0019 0.0216 0.1383
Loa Loa (eye worm) hypothetical protein 0.0016 0.0147 0.0287
Trypanosoma brucei glucose transporter 2A 0.0035 0.0554 0.8107
Trypanosoma brucei glucose transporter, putative 0.0035 0.0554 0.8107
Loa Loa (eye worm) hypothetical protein 0.0027 0.0394 0.0771
Loa Loa (eye worm) hypothetical protein 0.0016 0.0147 0.0287
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0112 0.221 0.3094
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0025 0.0345 1
Loa Loa (eye worm) bifunctional aminoacyl-tRNA synthetase 0.0014 0.0105 0.0205
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.0465 0.0908
Brugia malayi major facilitator superfamily protein 0.0016 0.0147 0.0287
Plasmodium vivax calcium-dependent protein kinase 3, putative 0.0034 0.0545 0.0404
Leishmania major glucose transporter, lmgt1 0.0035 0.0554 0.8107
Echinococcus granulosus tumor protein p63 0.0327 0.6816 1
Trypanosoma brucei glucose transporter, putative 0.0035 0.0554 0.8107
Schistosoma mansoni tar DNA-binding protein 0.0248 0.5119 1
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.0554 0.1973
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0039 0.0649 1
Plasmodium falciparum calcium-dependent protein kinase 4 0.0034 0.0545 0.0404
Echinococcus multilocularis lysyl tRNA synthetase 0.0025 0.0345 0.0297
Loa Loa (eye worm) TAR-binding protein 0.0248 0.5119 1
Mycobacterium tuberculosis Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) 0.0021 0.0264 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0031 0.0465 0.0477
Trypanosoma brucei glucose transporter, putative 0.0035 0.0554 0.8107
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0034 0.053 0.077
Treponema pallidum prolyl-tRNA synthetase 0.0012 0.0064 0.5
Trypanosoma cruzi hexose transporter, putative 0.0035 0.0554 0.8107
Brugia malayi major facilitator superfamily protein 0.0016 0.0147 0.0287
Schistosoma mansoni protein kinase 0.0034 0.0544 0.08
Brugia malayi hypothetical protein 0.0016 0.0147 0.0287
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0025 0.0345 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0031 0.0465 0.0477
Schistosoma mansoni hypothetical protein 0.0112 0.221 0.415
Toxoplasma gondii calcium-dependent protein kinase CDPK3 0.0034 0.0545 0.0617
Loa Loa (eye worm) MH1 domain-containing protein 0.0016 0.0154 0.0301
Echinococcus granulosus TGF beta signal transducer SmadC 0.0016 0.0154 0.0011
Schistosoma mansoni hypothetical protein 0.0031 0.0465 0.0639
Echinococcus granulosus Smad4 0.0016 0.0154 0.0011
Loa Loa (eye worm) transcription factor SMAD2 0.0237 0.4873 0.9518
Leishmania major glucose transporter, lmgt2 0.0035 0.0554 0.8107
Brugia malayi hypothetical protein 0.0016 0.0147 0.0287
Echinococcus granulosus glutamyl tRNA synthetase cytoplasmic 0.0034 0.053 0.0574
Echinococcus multilocularis tar DNA binding protein 0.0248 0.5119 0.7456
Plasmodium falciparum protein kinase 7 0.0317 0.6593 0.6542
Echinococcus granulosus mothers against decapentaplegic 5 0.0016 0.0154 0.0011
Trypanosoma brucei THT1 - hexose transporter, putative 0.0035 0.0554 0.8107
Loa Loa (eye worm) sugar transporter 0.0112 0.221 0.4317
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0034 0.0544 0.0596
Schistosoma mansoni smad1 5 8 and 0.0016 0.0154 0.0015
Schistosoma mansoni tar DNA-binding protein 0.0248 0.5119 1
Echinococcus multilocularis tumor protein p63 0.0327 0.6816 1
Echinococcus granulosus General substrate transporter 0.0096 0.1873 0.2588
Loa Loa (eye worm) hypothetical protein 0.0016 0.0147 0.0287
Plasmodium vivax proline--tRNA ligase, putative 0.0039 0.0649 0.051
Loa Loa (eye worm) hypothetical protein 0.0097 0.1881 0.3675
Brugia malayi lysyl-tRNA synthetase 0.0025 0.0345 0.0674
Giardia lamblia Lysyl-tRNA synthetase 0.0025 0.0345 0.5182
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0112 0.221 0.3094
Echinococcus multilocularis Smad4 0.0016 0.0154 0.0011
Schistosoma mansoni glucose transport protein 0.0112 0.221 0.415
Trypanosoma brucei glucose transporter, putative 0.0035 0.0554 0.8107
Brugia malayi RNA binding protein 0.0248 0.5119 1
Schistosoma mansoni tar DNA-binding protein 0.0248 0.5119 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0237 0.4873 0.9518
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0112 0.221 0.3094
Brugia malayi Sugar transporter family protein 0.0016 0.0147 0.0287
Mycobacterium ulcerans fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT 0.0016 0.0147 0.2954
Loa Loa (eye worm) Smad1 0.0016 0.0154 0.0301
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0031 0.0465 0.0477
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0039 0.0649 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0147 0.0287
Brugia malayi Major Facilitator Superfamily protein 0.0016 0.0147 0.0287
Echinococcus granulosus lysyl tRNA synthetase 0.0025 0.0345 0.0297
Echinococcus multilocularis General substrate transporter 0.0096 0.1873 0.2588
Entamoeba histolytica protein kinase, putative 0.0034 0.0544 1
Brugia malayi latrophilin 2 splice variant baaae 0.0066 0.1226 0.2394
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.0465 0.0908
Leishmania major glucose transporter, lmgt3 0.0035 0.0554 0.8107
Schistosoma mansoni hypothetical protein 0.0031 0.0465 0.0639
Loa Loa (eye worm) hypothetical protein 0.0016 0.0147 0.0287
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0025 0.0345 0.0961
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0097 0.1881 0.3675
Trypanosoma brucei calcium/calmodulin-dependent protein kinase, putative 0.0034 0.0544 0.7919
Leishmania major lysyl-tRNA synthetase, putative 0.0025 0.0345 0.395
Trypanosoma cruzi hexose transporter 0.0035 0.0554 0.8107
Trypanosoma cruzi hexose transporter, putative 0.0035 0.0554 0.8107
Brugia malayi RNA recognition motif domain containing protein 0.0248 0.5119 1
Entamoeba histolytica protein kinase, putative 0.0034 0.0544 1
Trichomonas vaginalis glucose transporter, putative 0.0035 0.0554 0.1973
Loa Loa (eye worm) hypothetical protein 0.0016 0.0147 0.0287
Giardia lamblia Prolyl-tRNA synthetase 0.0034 0.053 1
Brugia malayi hypothetical protein 0.0016 0.0147 0.0287
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0022 0.0279 0.0641
Mycobacterium ulcerans integral membrane transport protein 0.0016 0.0147 0.2954
Brugia malayi Bifunctional aminoacyl-tRNA synthetase 0.0034 0.053 0.1034
Schistosoma mansoni hypothetical protein 0.0031 0.0465 0.0639
Trypanosoma cruzi hexose transporter, putative 0.0035 0.0554 0.8107
Brugia malayi Sugar transporter family protein 0.0016 0.0147 0.0287
Brugia malayi Latrophilin receptor protein 2 0.0031 0.0465 0.0908
Brugia malayi MH2 domain containing protein 0.0016 0.0154 0.0301
Echinococcus multilocularis smad 0.0016 0.0154 0.0011
Loa Loa (eye worm) hypothetical protein 0.0034 0.0544 0.1063
Echinococcus multilocularis glutamyl tRNA synthetase cytoplasmic 0.0034 0.053 0.0574
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0034 0.0544 0.0596
Loa Loa (eye worm) hypothetical protein 0.0016 0.0147 0.0287
Brugia malayi Smad1 0.0016 0.0154 0.0301
Loa Loa (eye worm) hypothetical protein 0.0031 0.0465 0.0908
Loa Loa (eye worm) hypothetical protein 0.0034 0.053 0.1034
Trichomonas vaginalis CAMK family protein kinase 0.0034 0.0544 0.1927
Trypanosoma brucei glucose transporter, putative 0.0035 0.0554 0.8107
Trypanosoma brucei glucose transporter, putative 0.0035 0.0554 0.8107
Brugia malayi Major Facilitator Superfamily protein 0.0016 0.0147 0.0287
Trichomonas vaginalis conserved hypothetical protein 0.0112 0.221 1
Plasmodium falciparum calcium-dependent protein kinase 5 0.0034 0.0545 0.0404
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0034 0.0544 0.0596
Loa Loa (eye worm) hypothetical protein 0.0016 0.0147 0.0287
Trichomonas vaginalis glucose transporter, putative 0.0035 0.0554 0.1973
Schistosoma mansoni lysyl-tRNA synthetase 0.0025 0.0345 0.0399
Loa Loa (eye worm) hypothetical protein 0.0016 0.0147 0.0287
Plasmodium falciparum calcium-dependent protein kinase 2 0.0034 0.0545 0.0404
Brugia malayi MH2 domain containing protein 0.0016 0.0154 0.0301
Toxoplasma gondii facilitative glucose transporter GT1 0.0112 0.221 0.3201
Echinococcus multilocularis calcium dependent protein kinase 0.0032 0.0499 0.0528
Toxoplasma gondii calcium-dependent protein kinase CDPK2B 0.0034 0.0545 0.0617
Schistosoma mansoni protein kinase 0.0034 0.0544 0.08
Mycobacterium leprae Probable prolyl tRNA synthetase ProS 0.0034 0.053 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0345 0.0674
Chlamydia trachomatis lysine--tRNA ligase 0.0025 0.0345 1
Echinococcus granulosus smad 0.0016 0.0154 0.0011
Echinococcus multilocularis mothers against decapentaplegic 5 0.0016 0.0154 0.0011
Loa Loa (eye worm) hypothetical protein 0.0016 0.0147 0.0287
Loa Loa (eye worm) hypothetical protein 0.0048 0.0835 0.1631
Loa Loa (eye worm) MH2 domain-containing protein 0.0016 0.0154 0.0301
Mycobacterium ulcerans sugar transporter 0.0016 0.0147 0.2954
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0039 0.0649 1
Schistosoma mansoni hypothetical protein 0.0031 0.0465 0.0639
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0016 0.0154 0.0015
Loa Loa (eye worm) RNA binding protein 0.0248 0.5119 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0147 0.0287
Loa Loa (eye worm) hypothetical protein 0.0034 0.053 0.1034
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0097 0.1881 0.3675
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.0554 0.1973
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0039 0.0649 1
Plasmodium falciparum mitogen-activated protein kinase 2 0.0181 0.3689 0.3595
Wolbachia endosymbiont of Brugia malayi major facilitator superfamily permease 0.0016 0.0147 0.5
Onchocerca volvulus 0.0048 0.0835 1
Toxoplasma gondii lysine-tRNA ligase 0.0025 0.0345 0.0308
Brugia malayi Cam kinase protein 1 0.0034 0.0544 0.1063
Trypanosoma brucei THT1 - hexose transporter, putative 0.0035 0.0554 0.8107
Schistosoma mansoni cellular tumor antigen P53 0.0048 0.0835 0.1384
Schistosoma mansoni smad 0.0016 0.0154 0.0015
Mycobacterium leprae Possible lysyl-tRNA synthetase 2 LysX 0.0025 0.0345 0.3046
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0016 0.0154 0.0011
Plasmodium vivax lysine--tRNA ligase, putative 0.0025 0.0345 0.0201
Plasmodium falciparum calcium-dependent protein kinase 3 0.0034 0.0545 0.0404
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0031 0.0465 0.0477
Brugia malayi TAR-binding protein 0.0248 0.5119 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0147 0.0287
Trichomonas vaginalis sugar transporter, putative 0.0035 0.0554 0.1973
Schistosoma mansoni smad1 5 8 and 0.0016 0.0154 0.0015
Brugia malayi Sugar transporter family protein 0.0112 0.221 0.4317
Loa Loa (eye worm) hypothetical protein 0.0016 0.0147 0.0287
Mycobacterium tuberculosis Lysyl-tRNA synthetase 2 LysX 0.0021 0.0264 1
Plasmodium vivax CDK-related protein kinase 6, putative 0.0476 1 1
Schistosoma mansoni serine/threonine protein kinase 0.0034 0.0544 0.08
Plasmodium falciparum proline--tRNA ligase 0.0039 0.0649 0.051
Trypanosoma brucei THT1 - hexose transporter, putative 0.0035 0.0554 0.8107
Loa Loa (eye worm) major facilitator superfamily transporter 0.0016 0.0147 0.0287
Schistosoma mansoni tar DNA-binding protein 0.0248 0.5119 1
Schistosoma mansoni Smad4 0.0016 0.0154 0.0015
Plasmodium vivax calcium-dependent protein kinase 4, putative 0.0034 0.0545 0.0404
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0112 0.221 0.3094
Mycobacterium ulcerans sugar-transport integral membrane protein SugI 0.0016 0.0147 0.2954
Brugia malayi Major Facilitator Superfamily protein 0.0016 0.0147 0.0287
Toxoplasma gondii prolyl-tRNA synthetase (ProRS) 0.0039 0.0649 0.0779
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0112 0.221 0.3094
Schistosoma mansoni smad1 5 8 and 0.0016 0.0154 0.0015
Loa Loa (eye worm) major facilitator superfamily transporter 0.0016 0.0147 0.0287
Echinococcus multilocularis solute carrier family 2, facilitated glucose 0.0112 0.221 0.3094
Schistosoma mansoni tar DNA-binding protein 0.0248 0.5119 1
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 1 0.0034 0.0544 0.0596
Plasmodium falciparum calcium-dependent protein kinase 1 0.0034 0.0545 0.0404
Brugia malayi Calcium/calmodulin-dependent protein kinase type II alpha chain 0.0034 0.0544 0.1063
Toxoplasma gondii calcium-dependent protein kinase CDPK2A 0.0034 0.0545 0.0617

Activities

No activities found for this compound.

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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