Detailed information for compound 992659

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 472.614 | Formula: C28H40O6
  • H donors: 2 H acceptors: 5 LogP: 4.95 Rotable bonds: 13
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)C1(C/C=C(/CC/C=C(/CC/C=C(/[C@H]([C@H](C=C(C)C)O)O)\C)\C)\C)CC(=O)C=CC1=O
  • InChi: 1S/C28H40O6/c1-19(2)17-24(30)26(32)22(5)12-8-11-20(3)9-7-10-21(4)15-16-28(27(33)34-6)18-23(29)13-14-25(28)31/h9,12-15,17,24,26,30,32H,7-8,10-11,16,18H2,1-6H3/b20-9+,21-15+,22-12+/t24-,26+,28?/m0/s1
  • InChiKey: JRWWQINKMAMEOS-BEMIFWKESA-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
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0027 0.091 0.5
Plasmodium vivax acyl-CoA synthetase, putative 0.0021 0.0127 1
Brugia malayi MAP kinase sur-1 0.0059 0.4474 0.4405
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0059 0.4474 0.4536
Loa Loa (eye worm) hypothetical protein 0.0021 0.0127 0.0003
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0027 0.091 0.5
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0059 0.4474 0.4536
Leishmania major 4-coumarate:coa ligase-like protein 0.0027 0.091 0.082
Loa Loa (eye worm) hypothetical protein 0.0027 0.091 0.0796
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0021 0.0127 0.139
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.091 1
Echinococcus multilocularis expressed protein 0.0108 1 1
Onchocerca volvulus Cell death protein 3 homolog 0.0068 0.5512 1
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0105 0.9713 1
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0033 0.1516 0.1452
Leishmania major peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative 0.0105 0.9713 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.3198 0.3113
Loa Loa (eye worm) hypothetical protein 0.0068 0.5512 0.5456
Brugia malayi AMP-binding enzyme family protein 0.0027 0.091 0.0796
Loa Loa (eye worm) hypothetical protein 0.0027 0.091 0.0796
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0059 0.4474 0.4536
Loa Loa (eye worm) hypothetical protein 0.0027 0.091 0.0796
Trichomonas vaginalis rotamase, putative 0.0105 0.9713 0.9709
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0059 0.4474 0.4536
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0027 0.091 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.091 1
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0027 0.091 1
Leishmania major peptidyl-prolyl cis-trans isomerase, putative 0.0033 0.1516 0.1452
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0105 0.9713 1
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0059 0.4474 0.4536
Loa Loa (eye worm) hypothetical protein 0.0021 0.0127 0.0003
Toxoplasma gondii PPIC-type PPIASE domain-containing protein 0.0033 0.1516 0.1452
Leishmania major 4-coumarate:coa ligase-like protein 0.0027 0.091 0.082
Brugia malayi hypothetical protein 0.0048 0.3198 0.3113
Brugia malayi Cytochrome P450 family protein 0.003 0.1231 0.1121
Schistosoma mansoni rotamase 0.0108 1 1
Plasmodium falciparum acyl-CoA synthetase 0.0021 0.0127 1
Echinococcus granulosus apoptotic protease activating factor 1 0.0048 0.3198 0.3113
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.0033 0.1516 0.1452
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0059 0.4474 0.4405
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0027 0.091 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0127 0.0003
Trichomonas vaginalis CMGC family protein kinase 0.0059 0.4474 0.4405
Brugia malayi Cell death protein 3 precursor 0.0068 0.5512 0.5456
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0033 0.1516 0.1452
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0021 0.0127 0.5
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0059 0.4474 0.4536
Mycobacterium ulcerans hypothetical protein 0.0027 0.091 1
Trichomonas vaginalis rotamase, putative 0.0108 1 1
Brugia malayi AMP-binding enzyme family protein 0.0027 0.091 0.0796
Echinococcus granulosus expressed protein 0.0108 1 1
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase 0.0108 1 1
Trichomonas vaginalis CMGC family protein kinase 0.0059 0.4474 0.4405
Schistosoma mansoni hypothetical protein 0.0048 0.3198 0.3113
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0027 0.091 1
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0059 0.4474 0.4536
Trichomonas vaginalis CMGC family protein kinase 0.0059 0.4474 0.4405
Onchocerca volvulus 0.0048 0.3198 0.4971
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative 0.0105 0.9713 1
Schistosoma mansoni caspase-7 (C14 family) 0.0068 0.5512 0.5456
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0027 0.091 1
Echinococcus multilocularis apoptotic protease activating factor 1 0.0048 0.3198 0.3113
Toxoplasma gondii peptidylprolyl isomerase 0.0105 0.9713 1
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0059 0.4474 0.4536
Echinococcus granulosus mitogen activated protein kinase 3 0.0059 0.4474 0.4405
Giardia lamblia Kinase, CMGC MAPK 0.0059 0.4474 0.5
Echinococcus granulosus caspase 2 0.0068 0.5512 0.5456
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0027 0.091 1
Echinococcus multilocularis caspase 2 0.0068 0.5512 0.5456
Loa Loa (eye worm) cytochrome P450 family protein 0.003 0.1231 0.1121
Loa Loa (eye worm) hypothetical protein 0.0021 0.0127 0.0003
Loa Loa (eye worm) hypothetical protein 0.0021 0.0127 0.0003
Trichomonas vaginalis CMGC family protein kinase 0.0059 0.4474 0.4405
Echinococcus multilocularis mitogen activated protein kinase 0.0059 0.4474 0.4405
Leishmania major 4-coumarate:coa ligase-like protein 0.0027 0.091 0.082
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.091 1
Trichomonas vaginalis conserved hypothetical protein 0.0108 1 1
Brugia malayi AMP-binding enzyme family protein 0.0027 0.091 0.0796
Schistosoma mansoni serine/threonine protein kinase 0.0059 0.4474 0.4405
Echinococcus multilocularis mitogen activated protein kinase 3 0.0059 0.4474 0.4405
Trypanosoma brucei protein kinase, putative 0.0059 0.4474 0.4536
Wolbachia endosymbiont of Brugia malayi parvulin-like peptidyl-prolyl isomerase, PPID 0.0033 0.1516 0.5
Echinococcus granulosus mitogen activated protein kinase 0.0059 0.4474 0.4405
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative 0.0105 0.9713 1

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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