Detailed information for compound 1451127

Basic information

Technical information
  • TDR Targets ID: 1451127
  • Name: T5228602
  • MW: 373.4 | Formula: C20H23NO6
  • H donors: 1 H acceptors: 3 LogP: 3.7 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1c(C)[nH]c(c1C)C(=O)COC(=O)COc1ccccc1C
  • InChi: 1S/C20H23NO6/c1-5-25-20(24)18-13(3)19(21-14(18)4)15(22)10-27-17(23)11-26-16-9-7-6-8-12(16)2/h6-9,21H,5,10-11H2,1-4H3
  • InChiKey: WAGZWWDFIOBHCE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ZINC02632241
  • MLS000334995
  • SMR000249753

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens karyopherin (importin) beta 1 No references
Homo sapiens snurportin 1 No references
Homo sapiens RAN, member RAS oncogene family No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma japonicum Importin subunit beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni hypothetical protein Get druggable targets OG5_131808 All targets in OG5_131808
Loa Loa (eye worm) nucleolar RNA-associated protein alpha Get druggable targets OG5_131808 All targets in OG5_131808
Babesia bovis importin beta subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Neospora caninum hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania major importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis importin beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium yoelii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania major GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei gambiense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Toxoplasma gondii HEAT repeat-containing protein Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Leishmania donovani importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium falciparum importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma cruzi importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei gambiense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium knowlesi importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Cryptosporidium parvum GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Entamoeba histolytica Ran family GTPase Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium berghei GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Brugia malayi Importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma congolense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Theileria parva GTP-binding nuclear protein ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Neospora caninum GTP-binding nuclear protein Ran, related Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania donovani GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania braziliensis importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Cryptosporidium hominis GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania mexicana GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium berghei importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus multilocularis GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium knowlesi GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania infantum GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Theileria parva importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Snurportin-1, putative Get druggable targets OG5_131808 All targets in OG5_131808
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium vivax importin-beta 2, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania mexicana importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Cryptosporidium hominis importin-beta2 Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania infantum importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Giardia lamblia GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni importin beta-1 Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania braziliensis GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Brugia malayi RNA, U transporter 1 Get druggable targets OG5_131808 All targets in OG5_131808
Trypanosoma congolense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium yoelii importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum ko:K07936 GTP-binding nuclear protein Ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma japonicum Importin subunit beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Babesia bovis GTP-binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium parvum importin/karyopherin Get druggable targets OG5_127843 All targets in OG5_127843
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 MH2 domain containing protein 0.0118 0.2851 0.3511
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.053 0.0301
Plasmodium vivax importin-beta 2, putative 0.0035 0.0495 0.8822
Plasmodium vivax SET domain protein, putative 0.0036 0.053 1
Echinococcus granulosus importin subunit beta 1 0.0035 0.0495 0.0266
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0267 0.4303
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0267 0.4303
Schistosoma mansoni hypothetical protein 0.0209 0.5398 0.5287
Loa Loa (eye worm) hypothetical protein 0.0027 0.0267 0.0032
Brugia malayi Pre-SET motif family protein 0.0251 0.6603 0.8131
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0305 0.8121 0.8076
Loa Loa (eye worm) RNA binding protein 0.0261 0.6868 0.6792
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0097 0.2237 0.2049
Brugia malayi Latrophilin receptor protein 2 0.0097 0.2237 0.2754
Loa Loa (eye worm) latrophilin receptor protein 2 0.0097 0.2237 0.2049
Brugia malayi TAR-binding protein 0.0261 0.6868 0.8456
Leishmania major importin beta-1 subunit, putative 0.0028 0.0309 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.0309 0.01
Plasmodium vivax ataxin-2 like protein, putative 0.0027 0.0267 0.1077
Onchocerca volvulus 0.0286 0.7583 1
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0372 1 1
Echinococcus multilocularis GPCR, family 2 0.0097 0.2237 0.2049
Plasmodium falciparum importin beta, putative 0.0035 0.0495 1
Entamoeba histolytica hypothetical protein 0.0028 0.0309 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.053 0.0301
Schistosoma mansoni tar DNA-binding protein 0.0261 0.6868 0.6792
Schistosoma mansoni tar DNA-binding protein 0.0261 0.6868 0.6792
Echinococcus granulosus tar DNA binding protein 0.0261 0.6868 0.6792
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0267 0.1221
Schistosoma mansoni hypothetical protein 0.0097 0.2237 0.2049
Brugia malayi Calcitonin receptor-like protein seb-1 0.0305 0.8121 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.053 0.0301
Trichomonas vaginalis importin beta-1, putative 0.0028 0.0309 0.01
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.053 0.0301
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.053 0.0301
Brugia malayi RNA recognition motif domain containing protein 0.0261 0.6868 0.8456
Echinococcus multilocularis snurportin 1 0.0372 1 1
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.0495 1
Brugia malayi RNA binding protein 0.0261 0.6868 0.8456
Toxoplasma gondii LsmAD domain-containing protein 0.0027 0.0267 0.1077
Loa Loa (eye worm) hypothetical protein 0.0305 0.8121 0.8076
Loa Loa (eye worm) MH2 domain-containing protein 0.0118 0.2851 0.2678
Schistosoma mansoni tar DNA-binding protein 0.0261 0.6868 0.6792
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.6603 0.6521
Brugia malayi latrophilin 2 splice variant baaae 0.0209 0.5398 0.6646
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.053 0.0301
Brugia malayi hypothetical protein 0.0027 0.0267 0.0329
Loa Loa (eye worm) hypothetical protein 0.0097 0.2237 0.2049
Echinococcus multilocularis tar DNA binding protein 0.0261 0.6868 0.6792
Schistosoma mansoni tar DNA-binding protein 0.0261 0.6868 0.6792
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.053 1
Schistosoma mansoni importin beta-1 0.0035 0.0495 0.0266
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0492 0.0263
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0267 0.1221
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0261 0.6868 0.6792
Brugia malayi RNA, U transporter 1 0.0099 0.2306 0.284
Schistosoma mansoni hypothetical protein 0.0097 0.2237 0.2049
Brugia malayi Pre-SET motif family protein 0.0036 0.053 0.0652
Loa Loa (eye worm) TAR-binding protein 0.0261 0.6868 0.6792
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0097 0.2237 0.2049
Loa Loa (eye worm) hypothetical protein 0.0035 0.0495 0.0266
Schistosoma mansoni hypothetical protein 0.0372 1 1
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0026 0.0236 0.5
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0097 0.2237 0.2049
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0097 0.2237 0.2049
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.053 0.0301
Leishmania major hypothetical protein, conserved 0.0027 0.0267 0.4303
Schistosoma mansoni tar DNA-binding protein 0.0261 0.6868 0.6792
Schistosoma mansoni hypothetical protein 0.0097 0.2237 0.2049
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0305 0.8121 1
Echinococcus granulosus GPCR family 2 0.0097 0.2237 0.2049
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0097 0.2237 0.2754
Echinococcus multilocularis importin subunit beta 1 0.0035 0.0495 0.0266
Loa Loa (eye worm) hypothetical protein 0.0209 0.5398 0.5287
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0026 0.0236 0.029
Trypanosoma brucei PAB1-binding protein , putative 0.0027 0.0267 0.1221
Schistosoma mansoni hypothetical protein 0.0097 0.2237 0.2049
Trypanosoma cruzi importin beta-1 subunit, putative 0.0028 0.0309 1
Brugia malayi Importin beta-1 subunit 0.0035 0.0495 0.061
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.0495 1
Toxoplasma gondii HEAT repeat-containing protein 0.0035 0.0495 0.8822
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.0309 0.01
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.053 0.0301
Trichomonas vaginalis set domain proteins, putative 0.0286 0.7583 1
Loa Loa (eye worm) transcription factor SMAD2 0.0118 0.2851 0.2678

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.2589 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 14.581 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] ChEMBL. No 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

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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