Detailed information for compound 31217

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 423.371 | Formula: C19H21NO10
  • H donors: 3 H acceptors: 6 LogP: 0.71 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC[C@H]([C@H](C(=O)OCc1occ(c(=O)c1)O)NC(=O)OCc1occ(c(=O)c1)O)C
  • InChi: 1S/C19H21NO10/c1-3-10(2)17(18(25)29-6-11-4-13(21)15(23)8-27-11)20-19(26)30-7-12-5-14(22)16(24)9-28-12/h4-5,8-10,17,23-24H,3,6-7H2,1-2H3,(H,20,26)/t10?,17-/m0/s1
  • InChiKey: QWWPGALYBAXRTG-LKDXBUKQSA-N  

Network

Hover on a compound node to display the structore

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 Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0111 0.0481 0.0481
Schistosoma mansoni neuroligin 3 (S09 family) 0.0274 0.1507 0.1507
Trichomonas vaginalis spcc417.12 protein, putative 0.0274 0.1507 1
Loa Loa (eye worm) hypothetical protein 0.0274 0.1507 0.1507
Loa Loa (eye worm) tyrosinase 1 0.0111 0.0481 0.0481
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0274 0.1507 0.5
Echinococcus granulosus carboxylesterase 5A 0.1621 1 1
Echinococcus granulosus neuroligin 0.0274 0.1507 0.1169
Brugia malayi Carboxylesterase family protein 0.1621 1 1
Echinococcus multilocularis muscleblind protein 0.0153 0.0744 0.0377
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0274 0.1507 1
Onchocerca volvulus 0.0274 0.1507 1
Mycobacterium tuberculosis Carboxylesterase LipT 0.0274 0.1507 0.5
Treponema pallidum glucose-6-phosphate 1-dehydrogenase 0.0095 0.0382 0.5
Loa Loa (eye worm) hypothetical protein 0.0274 0.1507 0.1507
Schistosoma mansoni acetylcholinesterase 0.0274 0.1507 0.1507
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0274 0.1507 0.5
Loa Loa (eye worm) ShTK domain-containing protein 0.0111 0.0481 0.0481
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.0102 0.0102
Loa Loa (eye worm) carboxylesterase 0.1621 1 1
Brugia malayi glucose-6-phosphate dehydrogenase 0.0095 0.0382 0.0382
Brugia malayi Common central domain of tyrosinase family protein 0.0111 0.0481 0.0481
Schistosoma mansoni tyrosinase precursor 0.0528 0.3108 0.3108
Loa Loa (eye worm) hypothetical protein 0.0153 0.0744 0.0744
Brugia malayi Carboxylesterase family protein 0.0274 0.1507 0.1507
Brugia malayi Hypothetical tyrosinase-like protein F21C3.2 in chromosome I 0.0111 0.0481 0.0481
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0111 0.0481 0.0481
Chlamydia trachomatis glucose-6-phosphate 1-dehydrogenase 0.0095 0.0382 0.5
Loa Loa (eye worm) hypothetical protein 0.0111 0.0481 0.0481
Mycobacterium ulcerans carboxylesterase, LipT 0.0274 0.1507 1
Schistosoma mansoni tyrosinase precursor 0.0528 0.3108 0.3108
Onchocerca volvulus 0.0274 0.1507 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.0102 0.0102
Echinococcus granulosus acetylcholinesterase 0.1621 1 1
Schistosoma mansoni glucose-6-phosphate 1-dehydrogenase 0.0095 0.0382 0.0382
Echinococcus multilocularis muscleblind protein 1 0.0153 0.0744 0.0377
Loa Loa (eye worm) hypothetical protein 0.0274 0.1507 0.1507
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.0095 0.0382 0.1566
Echinococcus multilocularis BC026374 protein (S09 family) 0.0274 0.1507 0.1169
Brugia malayi Carboxylesterase family protein 0.0274 0.1507 0.1507
Plasmodium vivax glucose-6-phosphate 1-dehydrogenase, putative 0.0104 0.0436 0.5
Loa Loa (eye worm) hypothetical protein 0.0153 0.0744 0.0744
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.0104 0.0436 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.0102 0.0102
Brugia malayi Carboxylesterase family protein 0.0274 0.1507 0.1507
Loa Loa (eye worm) hypothetical protein 0.1621 1 1
Loa Loa (eye worm) carboxylesterase 0.0274 0.1507 0.1507
Onchocerca volvulus 0.0274 0.1507 1
Brugia malayi ShTK domain containing protein 0.0111 0.0481 0.0481
Echinococcus multilocularis para nitrobenzyl esterase 0.0274 0.1507 0.1169
Loa Loa (eye worm) hypothetical protein 0.0051 0.0102 0.0102
Echinococcus granulosus muscleblind protein 0.0153 0.0744 0.0377
Loa Loa (eye worm) ShTK domain-containing protein 0.0111 0.0481 0.0481
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0274 0.1507 0.1507
Trypanosoma brucei glucose-6-phosphate 1-dehydrogenase 0.0095 0.0382 0.5
Loa Loa (eye worm) acetylcholinesterase 1 0.1621 1 1
Onchocerca volvulus 0.0274 0.1507 1
Loa Loa (eye worm) hypothetical protein 0.0274 0.1507 0.1507
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0111 0.0481 0.0481
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.1621 1 1
Brugia malayi Muscleblind-like protein 0.0153 0.0744 0.0744
Echinococcus multilocularis carboxylesterase 5A 0.1621 1 1
Loa Loa (eye worm) hypothetical protein 0.1621 1 1
Plasmodium falciparum glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase 0.0104 0.0436 1
Brugia malayi Carboxylesterase family protein 0.0274 0.1507 0.1507
Loa Loa (eye worm) hypothetical protein 0.0274 0.1507 0.1507
Echinococcus multilocularis acetylcholinesterase 0.1621 1 1
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0274 0.1507 0.1169
Echinococcus granulosus BC026374 protein S09 family 0.0274 0.1507 0.1169
Onchocerca volvulus 0.0274 0.1507 1
Echinococcus multilocularis acetylcholinesterase 0.1621 1 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0274 0.1507 0.1507
Loa Loa (eye worm) hypothetical protein 0.0274 0.1507 0.1507
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0274 0.1507 0.1507
Loa Loa (eye worm) hypothetical protein 0.0274 0.1507 0.1507
Loa Loa (eye worm) glucose-6-phosphate dehydrogenase 0.0095 0.0382 0.0382
Loa Loa (eye worm) hypothetical protein 0.0111 0.0481 0.0481
Schistosoma mansoni BC026374 protein (S09 family) 0.0274 0.1507 0.1507
Schistosoma mansoni gliotactin 0.0274 0.1507 0.1507
Brugia malayi hypothetical protein 0.0274 0.1507 0.1507
Giardia lamblia Glucose-6-phosphate 1-dehydrogenase 0.0104 0.0436 0.5
Echinococcus granulosus para nitrobenzyl esterase 0.0274 0.1507 0.1169
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0274 0.1507 0.1169
Leishmania major glucose-6-phosphate 1-dehydrogenase, putative 0.0095 0.0382 0.5
Echinococcus granulosus acetylcholinesterase 0.1621 1 1
Echinococcus multilocularis neuroligin 0.0274 0.1507 0.1169
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.0095 0.0382 0.5
Loa Loa (eye worm) carboxylesterase 0.0274 0.1507 0.1507

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.7 uM Compound was evaluated for inhibition of tyrosinase enzyme. 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.

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