Detailed information for compound 1891128

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 486.64 | Formula: C29H42O6
  • H donors: 1 H acceptors: 3 LogP: 3.91 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC[C@H]1O[C@H](CC=C1C)/C(=C/[C@@H](/C=C/[C@@H]1[C@H]([C@@H]1C)/C=C/[C@@H]1O[C@H](CC(=O)OC)CC(=O)[C@H]1O)C)/C
  • InChi: 1S/C29H42O6/c1-7-25-18(3)9-12-26(35-25)19(4)14-17(2)8-10-22-20(5)23(22)11-13-27-29(32)24(30)15-21(34-27)16-28(31)33-6/h8-11,13-14,17,20-23,25-27,29,32H,7,12,15-16H2,1-6H3/b10-8+,13-11+,19-14+/t17-,20-,21+,22+,23+,25-,26-,27+,29-/m1/s1
  • InChiKey: RAWABBRUTWNKGE-LUDZEHKJSA-N  


Substructure search Similarity search

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
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0043 0.6693 0.6693
Schistosoma mansoni hypothetical protein 0.0015 0.1064 0.1064
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0035 0.5039 0.5
Loa Loa (eye worm) hypothetical protein 0.0032 0.4503 0.4503
Onchocerca volvulus 0.001 0 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0047 0.7465 0.7465
Loa Loa (eye worm) TAR-binding protein 0.006 1 1
Brugia malayi Inositol-1 0.0035 0.5039 0.5039
Schistosoma mansoni hypothetical protein 0.0032 0.4503 0.4503
Schistosoma mansoni tar DNA-binding protein 0.006 1 1
Echinococcus granulosus GPCR family 2 0.0015 0.1064 0.1064
Brugia malayi RNA recognition motif domain containing protein 0.006 1 1
Loa Loa (eye worm) RNA binding protein 0.006 1 1
Onchocerca volvulus Protein ultraspiracle homolog 0.001 0 0.5
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0035 0.5039 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0043 0.6693 0.6693
Echinococcus multilocularis GPCR, family 2 0.0015 0.1064 0.1064
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0043 0.6693 0.6693
Schistosoma mansoni tar DNA-binding protein 0.006 1 1
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0035 0.5039 0.5
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0035 0.5039 0.5
Schistosoma mansoni tar DNA-binding protein 0.006 1 1
Schistosoma mansoni hypothetical protein 0.0015 0.1064 0.1064
Trichomonas vaginalis inositol monophosphatase, putative 0.0035 0.5039 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0047 0.7465 0.7465
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0035 0.5039 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0043 0.6693 0.6693
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0035 0.5039 0.5
Brugia malayi TAR-binding protein 0.006 1 1
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0035 0.5039 0.5
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0015 0.1064 0.1064
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0015 0.1064 0.1064
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0043 0.6693 0.6693
Brugia malayi latrophilin 2 splice variant baaae 0.0032 0.4503 0.4503
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0043 0.6693 0.6693
Echinococcus granulosus tar DNA binding protein 0.006 1 1
Brugia malayi Latrophilin receptor protein 2 0.0015 0.1064 0.1064
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0031 0.4312 0.5
Loa Loa (eye worm) latrophilin receptor protein 2 0.0015 0.1064 0.1064
Onchocerca volvulus Bile acid receptor homolog 0.001 0 0.5
Loa Loa (eye worm) inositol-1 0.0035 0.5039 0.5039
Schistosoma mansoni inositol monophosphatase 0.0035 0.5039 0.5039
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.006 1 1
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0035 0.5039 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0043 0.6693 0.6693
Schistosoma mansoni inositol monophosphatase 0.0035 0.5039 0.5039
Echinococcus multilocularis tar DNA binding protein 0.006 1 1
Schistosoma mansoni hypothetical protein 0.0015 0.1064 0.1064
Schistosoma mansoni tar DNA-binding protein 0.006 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0043 0.6693 0.6693
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0035 0.5039 0.5
Loa Loa (eye worm) hypothetical protein 0.0047 0.7465 0.7465
Echinococcus granulosus inositol monophosphatase 1 0.0035 0.5039 0.5039
Loa Loa (eye worm) hypothetical protein 0.0015 0.1064 0.1064
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0015 0.1064 0.1064
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0015 0.1064 0.1064
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0031 0.4312 0.5
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.001 0 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0043 0.6693 0.6693
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0047 0.7465 0.7465
Schistosoma mansoni hypothetical protein 0.0015 0.1064 0.1064
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0035 0.5039 0.5
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0015 0.1064 0.1064
Echinococcus multilocularis inositol monophosphatase 1 0.0035 0.5039 0.5039
Schistosoma mansoni tar DNA-binding protein 0.006 1 1

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) Antifungal activity against Candida albicans by standard broth dilution technique ChEMBL. 114657

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.