Detailed information for compound 677170

Basic information

Technical information
  • TDR Targets ID: 677170
  • Name: methyl 2-[4-oxo-3-(4-phenylphenoxy)chromen-7- yl]oxyacetate
  • MW: 402.396 | Formula: C24H18O6
  • H donors: 0 H acceptors: 2 LogP: 4.8 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)COc1ccc2c(c1)occ(c2=O)Oc1ccc(cc1)c1ccccc1
  • InChi: 1S/C24H18O6/c1-27-23(25)15-28-19-11-12-20-21(13-19)29-14-22(24(20)26)30-18-9-7-17(8-10-18)16-5-3-2-4-6-16/h2-14H,15H2,1H3
  • InChiKey: HTFIHWUMJAYBCX-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[[4-oxo-3-(4-phenylphenoxy)-7-chromenyl]oxy]acetic acid methyl ester
  • 2-[4-keto-3-(4-phenylphenoxy)chromen-7-yl]oxyacetic acid methyl ester
  • methyl 2-[4-oxo-3-(4-phenylphenoxy)chromen-7-yl]oxyethanoate
  • ST5190600
  • Oprea1_685064
  • ZINC00947498
  • Oprea1_753225

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
Plasmodium falciparum SUMO-activating enzyme subunit 1 0.0048 0.0431 0.137
Toxoplasma gondii phosphoglycerate kinase PGKII 0.0168 0.225 0.5311
Trichomonas vaginalis importin beta-1, putative 0.0023 0.0061 0.0188
Echinococcus multilocularis EGFP:Bcl2 fusion protein 0.0082 0.0947 0.0947
Brugia malayi Pre-SET motif family protein 0.0206 0.2815 1
Plasmodium vivax ubiquitin activating enzyme, putative 0.0048 0.0431 0.137
Chlamydia trachomatis phosphoglycerate kinase 0.0168 0.225 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0157 0.0366
Echinococcus granulosus importin subunit beta 1 0.0029 0.0142 0.0142
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0029 0.0152 0.0152
Schistosoma mansoni hypothetical protein 0.0082 0.0947 0.0947
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0021 0.0035 0.0125
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0029 0.0152 0.0676
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0192 0.2607 0.8898
Loa Loa (eye worm) hypothetical protein 0.0048 0.0431 0.1002
Echinococcus granulosus EGFP:Bcl2 fusion protein 0.0082 0.0947 0.0947
Leishmania major DNA polymerase eta, putative 0.0031 0.0181 0.0806
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0029 0.0152 0.0676
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0062 0.0644 0.2861
Schistosoma mansoni apoptosis regulator bax 0.0082 0.0947 0.0947
Mycobacterium tuberculosis Probable phosphoglycerate kinase Pgk 0.0168 0.225 0.7678
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0157 0.0157
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0192 0.2607 0.8898
Schistosoma mansoni kinase 0.0048 0.0428 0.0428
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0141 0.0141
Echinococcus granulosus phosphoglycerate kinase 1 0.0168 0.225 0.225
Giardia lamblia NADH oxidase lateral transfer candidate 0.0029 0.0152 0.0676
Brugia malayi ThiF family protein 0.0031 0.0185 0.0658
Trichomonas vaginalis CAMK family protein kinase 0.0046 0.0409 0.1262
Trypanosoma brucei phosphoglycerate kinase 0.0062 0.0644 0.2861
Schistosoma mansoni phosphoglycerate kinase 0.0168 0.225 0.225
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0093 0.1121 0.1121
Trypanosoma cruzi polo-like protein kinase, putative 0.0093 0.1121 0.4981
Plasmodium falciparum phosphoglycerate kinase 0.0168 0.225 1
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.1121 0.3454
Trypanosoma brucei ubiquitin-activating enzyme E1, putative 0.0031 0.0185 0.0823
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0206 0.2815 0.6544
Trypanosoma cruzi trypanothione reductase, putative 0.0084 0.0981 0.4362
Echinococcus multilocularis SUMO activating enzyme subunit 2 0.0031 0.0185 0.0185
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0029 0.0152 0.0676
Brugia malayi ImpB/MucB/SamB family protein 0.0044 0.038 0.1349
Echinococcus granulosus dna polymerase eta 0.0044 0.038 0.038
Schistosoma mansoni microtubule-associated protein tau 0.0683 1 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0085 0.0989 0.0989
Schistosoma mansoni DNA polymerase eta 0.0044 0.038 0.038
Schistosoma mansoni serine/threonine protein kinase 0.0093 0.1121 0.1121
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0029 0.0152 0.0047
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0157 0.0157
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.1121 0.3454
Brugia malayi RNA, U transporter 1 0.0081 0.0935 0.332
Echinococcus multilocularis phosphoglycerate kinase 1 0.0168 0.225 0.225
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0084 0.0981 0.3349
Echinococcus multilocularis importin subunit beta 1 0.0029 0.0142 0.0142
Trypanosoma cruzi polo-like protein kinase, putative 0.0093 0.1121 0.4981
Schistosoma mansoni hypothetical protein 0.0305 0.4301 0.4301
Toxoplasma gondii thioredoxin reductase 0.0084 0.0981 0.2114
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.1121 0.3454
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0142 0.0632
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0062 0.0644 0.2861
Giardia lamblia Phosphoglycerate kinase 0.0168 0.225 1
Brugia malayi Phosphoglycerate kinase 0.0062 0.0644 0.2287
Loa Loa (eye worm) thioredoxin reductase 0.0084 0.0981 0.2281
Loa Loa (eye worm) hypothetical protein 0.0029 0.0142 0.0331
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0029 0.0152 0.0676
Trichomonas vaginalis CAMK family protein kinase 0.0046 0.0409 0.1262
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0093 0.1121 0.2605
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0061 0.0188
Trypanosoma brucei phosphoglycerate kinase 0.0168 0.225 1
Plasmodium vivax SET domain protein, putative 0.003 0.0157 0.0072
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0093 0.1121 0.1121
Schistosoma mansoni ubiquitin-activating enzyme E1b 0.0031 0.0185 0.0185
Echinococcus granulosus snurportin 1 0.0305 0.4301 0.4301
Brugia malayi serine/threonine-protein kinase plk-2 0.0093 0.1121 0.3981
Echinococcus granulosus sumo-activating enzyme subunit 2 0.0031 0.0185 0.0185
Plasmodium vivax thioredoxin reductase, putative 0.0084 0.0981 0.3981
Toxoplasma gondii PAN domain-containing protein 0.0292 0.411 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0192 0.2607 0.8898
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0029 0.0152 0.0676
Schistosoma mansoni phosphoglycerate kinase 0.0168 0.225 0.225
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0157 0.0157
Loa Loa (eye worm) hypothetical protein 0.0044 0.038 0.0883
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0029 0.0152 0.0676
Brugia malayi ThiF family protein 0.0048 0.0431 0.1531
Leishmania major ubiquitin-activating enzyme-like protein 0.0031 0.0185 0.0823
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.1121 0.3454
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0305 0.4301 1
Plasmodium falciparum SUMO-activating enzyme subunit 2 0.0031 0.0185 0.0204
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0157 0.0157
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0029 0.0152 0.0047
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0142 0.0632
Mycobacterium tuberculosis Probable reductase 0.0192 0.2607 0.8898
Trypanosoma cruzi ubiquitin-activating enzyme, putative 0.0027 0.0119 0.053
Loa Loa (eye worm) glutathione reductase 0.0084 0.0981 0.2281
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.1121 0.3454
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0029 0.0152 0.0676
Mycobacterium tuberculosis Probable dehydrogenase 0.0192 0.2607 0.8898
Schistosoma mansoni hypothetical protein 0.0082 0.0947 0.0947
Toxoplasma gondii phosphoglycerate kinase PGKI 0.0168 0.225 0.5311
Plasmodium vivax SUMO-activating enzyme subunit 2, putative 0.0031 0.0185 0.0204
Brugia malayi glutathione reductase 0.0084 0.0981 0.3485
Trypanosoma brucei trypanothione reductase 0.0084 0.0981 0.4362
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0029 0.0152 0.0676
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0029 0.0152 0.0025
Toxoplasma gondii ThiF family protein 0.0031 0.0185 0.0108
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0029 0.0152 0.0152
Echinococcus multilocularis snurportin 1 0.0305 0.4301 0.4301
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0157 0.0157
Trypanosoma cruzi 3-phosphoglycerate kinase, glycosomal 0.0062 0.0644 0.2861
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0168 0.225 1
Trypanosoma brucei phosphoglycerate kinase 0.0168 0.225 1
Leishmania major phosphoglycerate kinase B, cytosolic 0.0168 0.225 1
Schistosoma mansoni bcl-2 homologous antagonist/killer (bak) 0.0082 0.0947 0.0947
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0157 0.0157
Brugia malayi Pre-SET motif family protein 0.003 0.0157 0.0559
Leishmania major PAS-domain containing phosphoglycerate kinase, putative 0.0062 0.0644 0.2861
Plasmodium falciparum thioredoxin reductase 0.0084 0.0981 0.3981
Echinococcus multilocularis SUMO activating enzyme subunit 1 0.0048 0.0431 0.0431
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0061 0.0188
Trypanosoma brucei DNA polymerase eta, putative 0.0044 0.038 0.1688
Leishmania major DNA polymerase eta, putative 0.0044 0.038 0.1688
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0029 0.0152 0.0047
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0029 0.0152 0.0047
Entamoeba histolytica phosphoglycerate kinase, putative 0.0168 0.225 1
Toxoplasma gondii PAN domain-containing protein 0.0292 0.411 1
Trichomonas vaginalis phosphoglycerate kinase, putative 0.0168 0.225 0.6935
Treponema pallidum phosphoglycerate kinase 0.0168 0.225 1
Trypanosoma cruzi trypanothione reductase, putative 0.0029 0.0152 0.0676
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0029 0.0152 0.0676
Trypanosoma brucei phosphoglycerate kinase, putative 0.0062 0.0644 0.2861
Trypanosoma brucei polo-like protein kinase 0.0093 0.1121 0.4981
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0029 0.0152 0.0676
Giardia lamblia Kinase, PLK 0.0093 0.1121 0.4981
Brugia malayi Apoptosis regulator proteins, Bcl-2 family protein 0.0082 0.0947 0.3364
Brugia malayi Importin beta-1 subunit 0.0029 0.0142 0.0505
Leishmania major trypanothione reductase 0.0084 0.0981 0.4362
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.0061 0.0271
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0029 0.0152 0.0676
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0031 0.0181 0.0099
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0029 0.0152 0.0676
Echinococcus multilocularis microtubule associated protein 2 0.0683 1 1
Echinococcus multilocularis dna polymerase eta 0.0044 0.038 0.038
Plasmodium falciparum glutathione reductase 0.0029 0.0152 0.0047
Entamoeba histolytica serine/threonine protein kinase, putative 0.0093 0.1121 0.4981
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0157 0.0157
Loa Loa (eye worm) hypothetical protein 0.0082 0.0947 0.2201
Brugia malayi Thioredoxin reductase 0.0084 0.0981 0.3485
Onchocerca volvulus Serine\/threonine kinase homolog 0.0093 0.1121 0.3121
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0029 0.0152 0.054
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0062 0.0644 0.2861
Trypanosoma cruzi DNA polymerase eta, putative 0.0031 0.0181 0.0806
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0029 0.0152 0.0519
Mycobacterium tuberculosis Probable oxidoreductase 0.0214 0.293 1
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0093 0.1121 0.4981
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0029 0.0152 0.0676
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0029 0.0152 0.0676
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0157 0.0038
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.1121 0.3454
Loa Loa (eye worm) ThiF family protein 0.0031 0.0185 0.043
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0029 0.0152 0.0676
Mycobacterium ulcerans phosphoglycerate kinase 0.0168 0.225 1
Echinococcus granulosus Bcl 2 ous antagonist:killer 0.0082 0.0947 0.0947
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0214 0.293 1
Trichomonas vaginalis glutathione reductase, putative 0.0029 0.0152 0.0469
Trypanosoma cruzi ubiquitin-activating enzyme, putative 0.0031 0.0185 0.0823
Leishmania major phosphoglycerate kinase C, glycosomal 0.0168 0.225 1
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0021 0.0035 0.0125
Brugia malayi Phosphoglycerate kinase 0.0168 0.225 0.7991
Plasmodium vivax phosphoglycerate kinase, putative 0.0168 0.225 1
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0029 0.0152 0.0676
Wolbachia endosymbiont of Brugia malayi phosphoglycerate kinase 0.0168 0.225 1
Trichomonas vaginalis mercuric reductase, putative 0.0029 0.0152 0.0469
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.1121 0.3454
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0192 0.2607 0.8898
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0214 0.293 1
Plasmodium falciparum glutathione reductase 0.0084 0.0981 0.3981
Entamoeba histolytica hypothetical protein 0.0023 0.0061 0.0271
Toxoplasma gondii hypothetical protein 0.0048 0.0431 0.0728
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0062 0.0644 0.2861
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0029 0.0152 0.0152
Echinococcus granulosus SUMO activating enzyme subunit 1 0.0048 0.0431 0.0431
Trypanosoma cruzi DNA polymerase eta, putative 0.0044 0.038 0.1688
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0029 0.0152 0.0676
Schistosoma mansoni sumo-1-activating enzyme E1a 0.0043 0.0365 0.0365
Toxoplasma gondii NADPH-glutathione reductase 0.0029 0.0152 0.0025
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0214 0.293 1
Onchocerca volvulus 0.0234 0.3244 1
Loa Loa (eye worm) apoptosis regulator protein 0.0082 0.0947 0.2201
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0029 0.0152 0.0676
Trichomonas vaginalis set domain proteins, putative 0.0234 0.3244 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0085 0.0989 0.0989
Plasmodium vivax glutathione reductase, putative 0.0084 0.0981 0.3981
Schistosoma mansoni importin beta-1 0.0029 0.0142 0.0142
Schistosoma mansoni sumo-1-activating enzyme E1a 0.0048 0.0431 0.0431
Plasmodium falciparum thioredoxin reductase 0.0029 0.0152 0.0047
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0029 0.0152 0.0676
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0192 0.2607 0.5251
Echinococcus multilocularis Bcl 2 ous antagonist:killer 0.0082 0.0947 0.0947
Schistosoma mansoni hypothetical protein 0.0082 0.0947 0.0947
Loa Loa (eye worm) hypothetical protein 0.0168 0.225 0.523
Trichomonas vaginalis phosphoglycerate kinase, putative 0.0168 0.225 0.6935
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0168 0.225 1
Leishmania major importin beta-1 subunit, putative 0.0023 0.0061 0.0271

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.