Detailed information for compound 1700350

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 361.389 | Formula: C19H23NO6
  • H donors: 2 H acceptors: 1 LogP: 2.53 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc(c1OCCNC[C@@H]1COc2c(O1)c(O)ccc2)OC
  • InChi: 1S/C19H23NO6/c1-22-15-6-4-7-16(23-2)19(15)24-10-9-20-11-13-12-25-17-8-3-5-14(21)18(17)26-13/h3-8,13,20-21H,9-12H2,1-2H3/t13-/m1/s1
  • InChiKey: CQDKZYPQPMHYAR-CYBMUJFWSA-N  

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
Echinococcus granulosus voltage gated sodium channel Nav1 alpha subunit 0.0072 1 1
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0019 0.1334 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.1334 0.2945
Mycobacterium ulcerans acyl-CoA synthetase 0.0019 0.1334 1
Brugia malayi hypothetical protein 0.0031 0.3157 0.6968
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0032 0.3416 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0032 0.3416 1
Leishmania major calcium channel protein, putative,ion transporter, putative 0.0072 1 1
Schistosoma mansoni voltage-gated potassium channel 0.0042 0.505 1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0015 0.0519 0.0519
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0019 0.1334 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.1334 0.2945
Loa Loa (eye worm) hypothetical protein 0.0015 0.0527 0.1162
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0031 0.3157 0.3157
Loa Loa (eye worm) hypothetical protein 0.0015 0.0527 0.1162
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0039 0.4531 0.4531
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0015 0.0519 0.0519
Plasmodium falciparum acyl-CoA synthetase 0.0015 0.0527 0.5
Loa Loa (eye worm) hypothetical protein 0.0015 0.0527 0.1162
Brugia malayi AMP-binding enzyme family protein 0.0019 0.1334 0.2945
Schistosoma mansoni hypothetical protein 0.0031 0.3157 0.6252
Echinococcus multilocularis voltage gated potassium channel 0.0015 0.0519 0.0519
Onchocerca volvulus 0.0019 0.1334 0.5
Entamoeba histolytica hypothetical protein 0.0031 0.3157 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0527 0.1162
Echinococcus granulosus voltage gated potassium channel 0.0015 0.0519 0.0519
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0031 0.3157 0.3157
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0019 0.1334 0.5
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0039 0.4531 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0019 0.1334 0.5
Mycobacterium ulcerans hypothetical protein 0.0019 0.1334 1
Entamoeba histolytica hypothetical protein 0.0031 0.3157 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0019 0.1334 1
Schistosoma mansoni voltage-gated potassium channel 0.0042 0.505 1
Echinococcus multilocularis sodium channel protein 0.0072 1 1
Schistosoma mansoni voltage-gated potassium channel 0.0015 0.0519 0.1028
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0039 0.4531 1
Schistosoma mansoni voltage-gated potassium channel 0.0015 0.0519 0.1028
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0019 0.1334 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0019 0.1334 1
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0019 0.1334 1
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0015 0.0527 0.5
Entamoeba histolytica hypothetical protein 0.0031 0.3157 1
Schistosoma mansoni transcription factor LCR-F1 0.0031 0.3157 0.6252
Mycobacterium ulcerans acyl-CoA synthetase 0.0019 0.1334 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0527 0.1162
Loa Loa (eye worm) hypothetical protein 0.0034 0.3785 0.8354
Plasmodium vivax acyl-CoA synthetase, putative 0.0015 0.0527 0.5
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0019 0.1334 1
Entamoeba histolytica hypothetical protein 0.0031 0.3157 1
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0015 0.0519 0.1145
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0039 0.4531 0.4531
Loa Loa (eye worm) hypothetical protein 0.0019 0.1334 0.2945
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0015 0.0527 0.139
Loa Loa (eye worm) hypothetical protein 0.0015 0.0519 0.1145
Brugia malayi AMP-binding enzyme family protein 0.0019 0.1334 0.2945
Brugia malayi AMP-binding enzyme family protein 0.0019 0.1334 0.2945

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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