Detailed information for compound 2074621

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 470.684 | Formula: C30H46O4
  • H donors: 3 H acceptors: 3 LogP: 5.62 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC[C@]1(C)[C@@H](O)C=C[C@]2([C@H]1CC[C@@]1([C@@H]2C=C[C@]23[C@@]1(C)C[C@H](O)[C@@]1([C@H]3CC(CC1)(C)C)CO2)C)C
  • InChi: 1S/C30H46O4/c1-24(2)13-14-29-18-34-30(21(29)15-24)12-8-20-25(3)10-9-22(32)26(4,17-31)19(25)7-11-27(20,5)28(30,6)16-23(29)33/h8-10,12,19-23,31-33H,7,11,13-18H2,1-6H3/t19-,20-,21-,22+,23+,25+,26+,27-,28+,29-,30+/m1/s1
  • InChiKey: LCIIOZJVYLQBOA-CUMBFETHSA-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
Loa Loa (eye worm) hypothetical protein 0.0096 0.1459 0.2266
Echinococcus multilocularis insulin receptor 0.0055 0.0566 0.0354
Echinococcus multilocularis epidermal growth factor receptor 0.0173 0.3131 0.2977
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.0134 0.2288 0.5519
Brugia malayi Matrixin family protein 0.0134 0.2288 0.3554
Brugia malayi Matrixin family protein 0.0134 0.2288 0.3554
Toxoplasma gondii prolyl endopeptidase 0.0094 0.1414 1
Echinococcus granulosus adam 0.0069 0.0858 0.0652
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.0163 0.2925 1
Loa Loa (eye worm) matrix metalloproteinase 0.0134 0.2288 0.3554
Schistosoma mansoni subfamily M12B unassigned peptidase (M12 family) 0.0039 0.022 0.0378
Schistosoma mansoni voltage-gated potassium channel 0.0049 0.043 0.09
Schistosoma mansoni tyrosine kinase 0.0093 0.1387 0.328
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0093 0.1387 0.1194
Loa Loa (eye worm) matrixin family protein 0.0297 0.5851 0.9091
Brugia malayi hypothetical protein 0.0069 0.0858 0.1333
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0488 1 1
Echinococcus multilocularis epidermal growth factor receptor 0.0093 0.1387 0.1194
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0042 0.0276 0.5
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0055 0.0566 0.0354
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0045 0.034 0.0528
Schistosoma mansoni tyrosine kinase 0.0173 0.3131 0.7616
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0055 0.0566 0.0354
Echinococcus multilocularis prolyl endopeptidase 0.0094 0.1414 0.1221
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0045 0.034 0.0528
Loa Loa (eye worm) hypothetical protein 0.0039 0.0211 0.0328
Onchocerca volvulus Matrilysin homolog 0.0134 0.2288 0.1969
Echinococcus multilocularis 0.0053 0.0529 0.0316
Mycobacterium ulcerans hydrolase 0.0163 0.2925 1
Schistosoma mansoni subfamily M12B unassigned peptidase (M12 family) 0.0039 0.022 0.0378
Loa Loa (eye worm) hypothetical protein 0.0163 0.2925 0.4545
Schistosoma mansoni tyrosine kinase 0.0092 0.1366 0.3227
Brugia malayi Kinesin motor domain containing protein 0.0032 0.0068 0.0105
Schistosoma mansoni dihydroceramide desaturase 0.0144 0.2512 0.6077
Schistosoma mansoni tyrosine kinase 0.0092 0.1366 0.3227
Brugia malayi Furin-like cysteine rich region family protein 0.0173 0.3131 0.4865
Brugia malayi Protein kinase domain containing protein 0.0055 0.0566 0.088
Plasmodium vivax kinesin-5 0.0032 0.0068 0.5
Echinococcus multilocularis Blood coagulation inhibitor, Disintegrin 0.0096 0.1459 0.1267
Loa Loa (eye worm) TK/INSR protein kinase 0.0055 0.0566 0.088
Echinococcus granulosus kinesin family 1 0.0249 0.4796 0.4679
Echinococcus multilocularis adam 0.0069 0.0858 0.0652
Brugia malayi prolyl oligopeptidase family protein 0.0094 0.1414 0.2197
Brugia malayi Hemopexin family protein 0.019 0.3511 0.5454
Mycobacterium leprae PROBABLE HYDROLASE 0.0163 0.2925 1
Echinococcus granulosus disintegrin and metalloproteinase 0.0144 0.2512 0.2344
Echinococcus multilocularis disintegrin and metalloproteinase 0.0144 0.2512 0.2344
Brugia malayi Matrixin family protein 0.0324 0.6436 1
Schistosoma mansoni tyrosine kinase 0.0055 0.0566 0.1239
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0094 0.1414 0.3347
Echinococcus granulosus Blood coagulation inhibitor Disintegrin 0.0096 0.1459 0.1267
Schistosoma mansoni hypothetical protein 0.0217 0.409 1
Entamoeba histolytica kinesin, putative 0.0032 0.0068 0.5
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0094 0.1414 0.3347
Echinococcus granulosus epidermal growth factor receptor 0.0173 0.3131 0.2977
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.0094 0.1414 1
Echinococcus multilocularis kinesin family 1 0.0249 0.4796 0.4679
Schistosoma mansoni matrix metallopeptidase-9 (M10 family) 0.0142 0.245 0.5923
Plasmodium falciparum kinesin-5 0.0032 0.0068 0.5
Mycobacterium tuberculosis Probable protease II PtrBa [first part] (oligopeptidase B) 0.0084 0.1199 0.3716
Loa Loa (eye worm) hypothetical protein 0.0094 0.1414 0.2197
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0045 0.034 0.0123
Schistosoma mansoni adam (A disintegrin and metalloprotease 0.0069 0.0858 0.1964
Echinococcus granulosus insulin receptor 0.0055 0.0566 0.0354
Onchocerca volvulus 0.0134 0.2288 0.1969
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0042 0.0276 0.5
Onchocerca volvulus 0.019 0.3511 0.4725
Brugia malayi Matrixin family protein 0.0134 0.2288 0.3554
Schistosoma mansoni tyrosine kinase 0.0093 0.1387 0.328
Loa Loa (eye worm) hypothetical protein 0.0039 0.022 0.0341
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0163 0.2925 0.4545
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0045 0.034 0.0123
Echinococcus granulosus epidermal growth factor receptor 0.0093 0.1387 0.1194
Trypanosoma cruzi prolyl endopeptidase 0.0094 0.1414 1
Echinococcus granulosus prolyl endopeptidase 0.0094 0.1414 0.1221
Loa Loa (eye worm) TK/EGFR protein kinase 0.0173 0.3131 0.4865
Loa Loa (eye worm) hypothetical protein 0.0134 0.2288 0.3554
Onchocerca volvulus Matrix metalloproteinase homolog 0.0297 0.5851 1
Brugia malayi Disintegrin family protein 0.0144 0.2512 0.3903
Schistosoma mansoni tyrosine kinase 0.0055 0.0566 0.1239
Loa Loa (eye worm) hypothetical protein 0.0134 0.2288 0.3554
Schistosoma mansoni tyrosine kinase 0.0092 0.1366 0.3227
Loa Loa (eye worm) disintegrin family protein 0.0105 0.1654 0.257
Onchocerca volvulus Matrilysin homolog 0.0297 0.5851 1
Schistosoma mansoni hypothetical protein 0.019 0.3511 0.8559
Loa Loa (eye worm) matrixin family protein 0.0324 0.6436 1
Loa Loa (eye worm) hypothetical protein 0.0134 0.2288 0.3554
Schistosoma mansoni voltage-gated potassium channel 0.0049 0.043 0.09
Brugia malayi Matrixin family protein 0.0134 0.2288 0.3554
Trypanosoma brucei prolyl endopeptidase 0.0094 0.1414 1
Loa Loa (eye worm) kinesin-like protein KLP2 0.0032 0.0068 0.0105
Giardia lamblia Kinesin-5 0.0032 0.0068 0.5
Loa Loa (eye worm) reprolysin 0.0039 0.022 0.0341

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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