Detailed information for compound 1793554

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 422.427 | Formula: C24H22O7
  • H donors: 0 H acceptors: 1 LogP: 4.84 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCOc1c2COC(=O)c2c(c2c1cc(OC)c(c2)OC)c1ccc2c(c1)OCO2
  • InChi: 1S/C24H22O7/c1-4-7-28-23-15-10-19(27-3)18(26-2)9-14(15)21(22-16(23)11-29-24(22)25)13-5-6-17-20(8-13)31-12-30-17/h5-6,8-10H,4,7,11-12H2,1-3H3
  • InChiKey: CYYVQMAENXHWFO-UHFFFAOYSA-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
Schistosoma mansoni hypothetical protein 0.0171 0.2418 0.3664
Onchocerca volvulus 0.0171 0.2418 0.125
Echinococcus granulosus roundabout 2 0.005 0.0175 0.0175
Loa Loa (eye worm) hypothetical protein 0.0171 0.2418 0.3027
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0041 0.0007 0.001
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0044 0.0057 0.0057
Brugia malayi Sema domain containing protein 0.0171 0.2418 0.3027
Brugia malayi IPT/TIG domain containing protein 0.0075 0.0637 0.0798
Schistosoma mansoni plexin 0.0225 0.3429 0.5198
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0041 0.0007 0.0007
Schistosoma mansoni cell adhesion molecule 0.0044 0.0057 0.0086
Entamoeba histolytica protein kinase domain containing protein 0.01 0.1103 1
Schistosoma mansoni fibrocystin l 0.0075 0.0637 0.0966
Loa Loa (eye worm) hypothetical protein 0.0396 0.6598 0.8262
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0075 0.0637 0.5
Brugia malayi hypothetical protein 0.0171 0.2418 0.3027
Loa Loa (eye worm) hypothetical protein 0.0225 0.3429 0.4294
Echinococcus multilocularis roundabout 2 0.005 0.0175 0.0219
Loa Loa (eye worm) hypothetical protein 0.005 0.0175 0.0219
Echinococcus granulosus plexin a4 0.0471 0.7986 0.7986
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0041 0.0007 0.0008
Echinococcus multilocularis transcription factor collier 0.0075 0.0637 0.0798
Schistosoma mansoni hypothetical protein 0.0075 0.0637 0.0966
Loa Loa (eye worm) hypothetical protein 0.0075 0.0637 0.0798
Brugia malayi Probable exocyst complex component Sec5 0.0075 0.0637 0.0798
Trichomonas vaginalis conserved hypothetical protein 0.0075 0.0637 0.5
Echinococcus multilocularis hypothetical protein 0.0171 0.2418 0.3027
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0207 0.3094 0.3874
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0041 0.0007 0.0008
Echinococcus granulosus semaphorin 1A 0.0171 0.2418 0.2418
Echinococcus multilocularis semaphorin 5B 0.0171 0.2418 0.3027
Trichomonas vaginalis conserved hypothetical protein 0.0075 0.0637 0.5
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0075 0.0637 0.5
Loa Loa (eye worm) hypothetical protein 0.0266 0.4178 0.5231
Schistosoma mansoni hypothetical protein 0.0171 0.2418 0.3664
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0041 0.0007 0.0008
Loa Loa (eye worm) hypothetical protein 0.0171 0.2418 0.3027
Echinococcus multilocularis exocyst complex component 2 0.0075 0.0637 0.0798
Loa Loa (eye worm) hypothetical protein 0.0266 0.4178 0.5231
Trichomonas vaginalis conserved hypothetical protein 0.0075 0.0637 0.5
Echinococcus multilocularis muscleblind protein 1 0.0266 0.4178 0.5231
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0041 0.0007 0.001
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0041 0.0007 0.001
Echinococcus granulosus neuroglian 0.0047 0.0118 0.0118
Echinococcus multilocularis muscleblind protein 0.0266 0.4178 0.5231
Loa Loa (eye worm) hypothetical protein 0.0171 0.2418 0.3027
Loa Loa (eye worm) hypothetical protein 0.0044 0.0057 0.0071
Brugia malayi Sema domain containing protein 0.0171 0.2418 0.3027
Loa Loa (eye worm) hypothetical protein 0.0075 0.0637 0.0798
Brugia malayi Muscleblind-like protein 0.0266 0.4178 0.5231
Onchocerca volvulus 0.0396 0.6598 1
Brugia malayi hypothetical protein 0.0171 0.2418 0.3027
Schistosoma mansoni hypothetical protein 0.0075 0.0637 0.0966
Schistosoma mansoni hypothetical protein 0.0225 0.3429 0.5198
Schistosoma mansoni plexin 0.0396 0.6598 1
Echinococcus granulosus exocyst complex component 2 0.0075 0.0637 0.0637
Loa Loa (eye worm) hypothetical protein 0.0171 0.2418 0.3027
Loa Loa (eye worm) hypothetical protein 0.0171 0.2418 0.3027
Loa Loa (eye worm) hypothetical protein 0.0171 0.2418 0.3027
Entamoeba histolytica tyrosin kinase, putative 0.01 0.1103 1
Schistosoma mansoni nephrin 0.0047 0.0118 0.0179
Onchocerca volvulus Tyrosine kinase homolog 0.017 0.2404 0.1222
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0075 0.0637 0.5
Brugia malayi plexin A 0.0471 0.7986 1
Echinococcus granulosus transcription factor collier 0.0075 0.0637 0.0637
Brugia malayi Plexin repeat family protein 0.0396 0.6598 0.8262
Brugia malayi DNA-binding protein LAG-1 0.0075 0.0637 0.0798
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0041 0.0007 0.0008
Echinococcus granulosus semaphorin 5B 0.0171 0.2418 0.2418
Loa Loa (eye worm) plexin A 0.0471 0.7986 1
Echinococcus granulosus muscleblind protein 0.0266 0.4178 0.4178
Loa Loa (eye worm) hypothetical protein 0.0075 0.0637 0.0798
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0075 0.0637 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0075 0.0637 0.5
Loa Loa (eye worm) sema domain-containing protein 0.0171 0.2418 0.3027
Trichomonas vaginalis conserved hypothetical protein 0.0075 0.0637 0.5
Brugia malayi Immunoglobulin I-set domain containing protein 0.0207 0.3094 0.3874
Schistosoma mansoni semaphorin 5-related 0.0171 0.2418 0.3664
Trichomonas vaginalis conserved hypothetical protein 0.0075 0.0637 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0041 0.0007 0.0007
Loa Loa (eye worm) hypothetical protein 0.005 0.0175 0.0219
Echinococcus multilocularis plexin a4 0.0471 0.7986 1
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0075 0.0637 0.5
Loa Loa (eye worm) sema domain-containing protein 0.0171 0.2418 0.3027
Trichomonas vaginalis conserved hypothetical protein 0.0075 0.0637 0.5
Loa Loa (eye worm) hypothetical protein 0.0075 0.0637 0.0798
Echinococcus granulosus twitchin 0.0047 0.0118 0.0118
Echinococcus multilocularis neuroglian 0.0047 0.0118 0.0148

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 152 uM Cytotoxicity against Homo sapiens (human) HepG2 cells after 3 days by MTT assay 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.

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