Detailed information for compound 653443

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 385.41 | Formula: C21H23NO6
  • H donors: 1 H acceptors: 2 LogP: 1.57 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCCOC(=C1C(=NC2=C(C1c1ccc3c(c1)OCO3)C(=O)CCC2)C)O
  • InChi: 1S/C21H23NO6/c1-12-18(21(24)26-9-8-25-2)19(20-14(22-12)4-3-5-15(20)23)13-6-7-16-17(10-13)28-11-27-16/h6-7,10,19,24H,3-5,8-9,11H2,1-2H3
  • InChiKey: XFJRIMVZWXYRHY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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 jmjC domain containing protein 0.0038 0.0223 0.0435
Schistosoma mansoni hypothetical protein 0.0031 0.0142 0.159
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0294 0.0872
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0441 0.1212
Schistosoma mansoni family M1 non-peptidase homologue (M01 family) 0.0059 0.0494 0.5513
Trichomonas vaginalis conserved hypothetical protein 0.004 0.0246 0.1816
Loa Loa (eye worm) jmjC domain-containing protein 0.0038 0.0223 0.065
Toxoplasma gondii aminopeptidase N, putative 0.0032 0.0154 0.1931
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.0032 0.0154 0.1725
Mycobacterium ulcerans aminopeptidase N PepN 0.0092 0.0896 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0294 0.0872
Onchocerca volvulus 0.0043 0.0294 0.0493
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0031 0.0142 0.0142
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.003 0.0121 0.1351
Loa Loa (eye worm) hypothetical protein 0.0032 0.0154 0.0438
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0092 0.0896 0.0896
Brugia malayi Bromodomain containing protein 0.0039 0.0237 0.0474
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0097 0.0959 0.0959
Echinococcus multilocularis chromobox protein 1 0.0071 0.0633 0.0633
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0294 0.3286
Trypanosoma brucei aminopeptidase, putative 0.0032 0.0154 0.0297
Loa Loa (eye worm) hypothetical protein 0.0059 0.0494 0.1492
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0071 0.0642 0.0642
Loa Loa (eye worm) leukotriene A4 hydrolase 0.0032 0.0154 0.0438
Schistosoma mansoni chromobox protein 0.0071 0.0633 0.7068
Schistosoma mansoni hypothetical protein 0.003 0.0121 0.1351
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0059 0.0494 0.0494
Echinococcus multilocularis chromobox protein 1 0.0071 0.0633 0.0633
Echinococcus multilocularis PHD finger protein rhinoceros 0.003 0.0121 0.0121
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0441 0.1046
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.0092 0.0896 0.0896
Echinococcus multilocularis leukotriene A 4 hydrolase 0.0032 0.0154 0.0154
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0294 0.2127
Echinococcus granulosus lysine specific demethylase 5A 0.0038 0.0223 0.0613
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0032 0.0154 0.1931
Schistosoma mansoni chromobox protein 0.0071 0.0633 0.7068
Onchocerca volvulus 0.0031 0.014 0.0053
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0294 0.2422
Echinococcus granulosus PHD finger protein rhinoceros 0.003 0.0121 0.0333
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0092 0.0896 0.2463
Loa Loa (eye worm) peptidase family M1 containing protein 0.0252 0.2894 0.8946
Echinococcus granulosus fetal alzheimer antigen falz 0.0023 0.0037 0.0103
Trichomonas vaginalis esterase, putative 0.0043 0.0294 0.2422
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0294 0.2422
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0441 0.4921
Trypanosoma cruzi aminopeptidase, putative 0.0032 0.0154 0.0297
Brugia malayi beta-lactamase 0.0043 0.0294 0.0636
Leishmania major puromycin-sensitive aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0032 0.0154 0.0297
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0036 0.0207 0.0569
Loa Loa (eye worm) hypothetical protein 0.0031 0.014 0.0392
Trypanosoma cruzi metallo-peptidase, Clan MA(E) Family M1 0.0059 0.0494 0.4739
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0092 0.0896 0.2463
Schistosoma mansoni hypothetical protein 0.0021 0.0013 0.0149
Loa Loa (eye worm) hypothetical protein 0.0043 0.0294 0.0872
Brugia malayi hypothetical protein 0.0071 0.0642 0.161
Plasmodium falciparum M1-family alanyl aminopeptidase 0.0032 0.0154 1
Loa Loa (eye worm) aminopeptidase N 0.0092 0.0896 0.274
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0441 0.1327
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0032 0.0154 0.1931
Trypanosoma cruzi metallo-peptidase, Clan MA(E) Family M1 0.0032 0.0154 0.0297
Toxoplasma gondii ABC1 family protein 0.0043 0.0294 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0036 0.0207 0.0207
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0092 0.0896 1
Mycobacterium ulcerans hypothetical protein 0.0043 0.0294 0.1886
Brugia malayi beta-lactamase family protein 0.0043 0.0294 0.0636
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0099 0.0985 0.3016
Trichomonas vaginalis conserved hypothetical protein 0.004 0.0246 0.1816
Schistosoma mansoni aminopeptidase A (M01 family) 0.0032 0.0154 0.1725
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0043 0.0284 0.0463
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0294 0.2127
Giardia lamblia PHD finger protein 15 0.003 0.0121 0.5
Schistosoma mansoni hypothetical protein 0.0031 0.0142 0.159
Toxoplasma gondii aminopeptidase N protein 0.0032 0.0154 0.1931
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0294 0.2422
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0092 0.0896 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.0142 0.021
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0032 0.0154 0.0297
Brugia malayi jmjC domain containing protein 0.0097 0.0959 0.2499
Echinococcus multilocularis jumonji domain containing protein 0.0041 0.0265 0.0265
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0294 0.0294
Loa Loa (eye worm) hypothetical protein 0.0043 0.0294 0.0872
Schistosoma mansoni hypothetical protein 0.0071 0.0642 0.7166
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0441 0.4921
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0132 0.3224
Toxoplasma gondii aminopeptidase n, putative 0.0032 0.0154 0.1931
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0099 0.0985 0.2571
Loa Loa (eye worm) hypothetical protein 0.0043 0.0292 0.0864
Loa Loa (eye worm) hypothetical protein 0.0043 0.0294 0.0872
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.0092 0.0896 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0097 0.0959 0.2639
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0294 0.0636
Echinococcus granulosus jumonji domain containing protein 0.0041 0.0265 0.073
Trichomonas vaginalis chromobox protein, putative 0.0043 0.0284 0.2288
Trypanosoma cruzi Aminopeptidase M1, putative 0.0092 0.0896 1
Leishmania major hypothetical protein, conserved 0.0043 0.0294 0.2127
Loa Loa (eye worm) PHD-finger family protein 0.003 0.0121 0.0334
Echinococcus granulosus leukotriene A 4 hydrolase 0.0032 0.0154 0.0425
Onchocerca volvulus 0.0032 0.0154 0.0095
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0132 0.0623
Echinococcus multilocularis GPCR, family 2 0.0031 0.0142 0.0142
Trichomonas vaginalis chromobox protein, putative 0.0071 0.0633 0.6691
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0441 0.4921
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0031 0.0142 0.0142
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0032 0.0154 0.0425
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0294 0.2127
Loa Loa (eye worm) hypothetical protein 0.003 0.0132 0.0368
Brugia malayi Latrophilin receptor protein 2 0.0031 0.0142 0.021
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.0092 0.0896 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0294 0.0872
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0092 0.0896 0.2463
Echinococcus granulosus aminopeptidase N 0.0312 0.3636 1
Schistosoma mansoni jumonji domain containing protein 0.0077 0.0711 0.7941
Loa Loa (eye worm) heterochromatin protein 1 0.0071 0.0633 0.1924
Plasmodium falciparum M1-family alanyl aminopeptidase, putative 0.0032 0.0154 1
Mycobacterium leprae Probable lipase LipE 0.0043 0.0294 0.5
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0092 0.0896 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0154 0.0438
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.0142 0.0401
Brugia malayi latrophilin 2 splice variant baaae 0.0068 0.0595 0.1478
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0294 0.2422
Loa Loa (eye worm) hypothetical protein 0.0279 0.3234 1
Brugia malayi Bromodomain containing protein 0.0076 0.07 0.1774
Trypanosoma cruzi aminopeptidase, putative 0.0092 0.0896 1
Brugia malayi beta-lactamase family protein 0.0043 0.0294 0.0636
Schistosoma mansoni Tata binding protein associated factor (M01 family) 0.0032 0.0154 0.1725
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0092 0.0896 0.0896
Onchocerca volvulus Heterochromatin protein 1 homolog 0.004 0.0246 0.0356
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0294 0.1886
Brugia malayi Calcitonin receptor-like protein seb-1 0.0099 0.0985 0.2571
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0294 0.5
Brugia malayi hypothetical protein 0.003 0.0132 0.0181
Onchocerca volvulus 0.0043 0.0294 0.0493
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.0032 0.0154 0.0297
Onchocerca volvulus 0.0312 0.3636 1
Loa Loa (eye worm) hypothetical protein 0.022 0.2493 0.7699
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0023 0.0037 0.0419
Brugia malayi Peptidase family M1 containing protein 0.0312 0.3636 1
Loa Loa (eye worm) TATA binding protein associated factor 0.0032 0.0154 0.0438
Schistosoma mansoni hypothetical protein 0.0068 0.0595 0.6642
Mycobacterium ulcerans beta-lactamase 0.0043 0.0294 0.1886
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0294 0.0809
Loa Loa (eye worm) hypothetical protein 0.0032 0.0154 0.0438
Schistosoma mansoni hypothetical protein 0.0031 0.0142 0.159
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0132 0.3224
Loa Loa (eye worm) hypothetical protein 0.0043 0.0294 0.0872
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0031 0.0142 0.0392
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0132 0.0623
Brugia malayi TATA binding protein associated factor 0.0032 0.0154 0.0244
Brugia malayi Peptidase family M1 containing protein 0.0032 0.0154 0.0244
Echinococcus granulosus chromobox protein 1 0.0071 0.0633 0.1741
Brugia malayi hypothetical protein 0.0092 0.0896 0.2321
Loa Loa (eye worm) hypothetical protein 0.0031 0.0142 0.0401
Entamoeba histolytica aminopeptidase, putative 0.0092 0.0896 1
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0032 0.0154 0.0661
Brugia malayi PHD-finger family protein 0.003 0.0121 0.015
Schistosoma mansoni jumonji/arid domain-containing protein 0.0038 0.0223 0.2486
Onchocerca volvulus 0.0092 0.0896 0.2204
Loa Loa (eye worm) hypothetical protein 0.0099 0.0985 0.3016
Loa Loa (eye worm) hypothetical protein 0.004 0.0246 0.0723
Echinococcus granulosus chromobox protein 1 0.0071 0.0633 0.1741
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0441 0.0441
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0092 0.0896 1
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0032 0.0154 0.0297
Loa Loa (eye worm) beta-lactamase 0.0043 0.0294 0.0872
Loa Loa (eye worm) jmjC domain-containing protein 0.0061 0.0513 0.1553
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0092 0.0896 0.2463
Echinococcus multilocularis lysine specific demethylase 5A 0.0036 0.0199 0.0199
Trypanosoma brucei Aminopeptidase M1, putative 0.0092 0.0896 1
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0092 0.0896 1
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0092 0.0896 0.0896
Trichomonas vaginalis chromobox protein, putative 0.0071 0.0633 0.6691
Echinococcus multilocularis aminopeptidase N 0.0312 0.3636 0.3636
Echinococcus multilocularis peregrin 0.0032 0.0151 0.0151
Brugia malayi Peptidase family M1 containing protein 0.0092 0.0896 0.2321
Schistosoma mansoni transcription factor LCR-F1 0.0071 0.0642 0.7166
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0061 0.0507 0.1395
Trypanosoma brucei Aminopeptidase M1, putative 0.0092 0.0896 1
Echinococcus granulosus peregrin 0.0032 0.0151 0.0415
Brugia malayi hypothetical protein 0.0032 0.0154 0.0244
Loa Loa (eye worm) hypothetical protein 0.0072 0.0646 0.1965
Schistosoma mansoni bromodomain containing protein 0.0064 0.0552 0.6167
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0023 0.0037 0.0037
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0071 0.0642 0.1765
Loa Loa (eye worm) hypothetical protein 0.0068 0.0595 0.1806
Brugia malayi Heterochromatin protein 1 0.0071 0.0633 0.1585
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0294 0.1886
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0061 0.0507 0.0507
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.0032 0.0154 0.0297
Schistosoma mansoni jumonji/arid domain-containing protein 0.0038 0.0223 0.2486
Schistosoma mansoni hypothetical protein 0.0031 0.0142 0.159
Loa Loa (eye worm) hypothetical protein 0.0041 0.0267 0.0789
Loa Loa (eye worm) hypothetical protein 0.0039 0.0237 0.0696
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.3213 1
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0092 0.0896 0.0896
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0294 0.2422
Mycobacterium ulcerans lipase LipD 0.0043 0.0294 0.1886
Brugia malayi chromobox protein homolog 3 0.004 0.0246 0.0501
Loa Loa (eye worm) hypothetical protein 0.003 0.0121 0.0334
Loa Loa (eye worm) hypothetical protein 0.0059 0.0494 0.1492
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0441 0.0441
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0032 0.0154 0.0425
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0294 1
Trichomonas vaginalis chromobox protein, putative 0.0043 0.0284 0.2288
Echinococcus granulosus GPCR family 2 0.0031 0.0142 0.0392
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0031 0.0142 0.0392
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0441 0.1212
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0092 0.0896 1
Brugia malayi Bromodomain containing protein 0.0032 0.0151 0.0234
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0092 0.0896 0.0896
Onchocerca volvulus 0.0043 0.0294 0.0493
Loa Loa (eye worm) hypothetical protein 0.0051 0.0384 0.1152
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0294 0.3286

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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