Detailed information for compound 1001246

Basic information

Technical information
  • TDR Targets ID: 1001246
  • Name: (1R,2S,3aS,8aR)-6-(hydroxymethyl)-1-(2-hydrox ypropan-2-yl)-3a-methyl-2,3,4,7,8,8a-hexahydr oazulene-1,2-diol
  • MW: 270.365 | Formula: C15H26O4
  • H donors: 4 H acceptors: 4 LogP: 0.51 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCC1=CC[C@@]2([C@@H](CC1)[C@@](O)([C@H](C2)O)C(O)(C)C)C
  • InChi: 1S/C15H26O4/c1-13(2,18)15(19)11-5-4-10(9-16)6-7-14(11,3)8-12(15)17/h6,11-12,16-19H,4-5,7-9H2,1-3H3/t11-,12+,14+,15-/m1/s1
  • InChiKey: ICZQZRMWQOBXNK-PAPYEOQZSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (1R,2S,3aS,8aR)-6-(hydroxymethyl)-1-(1-hydroxy-1-methyl-ethyl)-3a-methyl-2,3,4,7,8,8a-hexahydroazulene-1,2-diol
  • (1R,2S,3aS,8aR)-6-(hydroxymethyl)-1-(1-hydroxy-1-methylethyl)-3a-methyl-2,3,4,7,8,8a-hexahydroazulene-1,2-diol
  • (1R,2S,3aS,8aR)-1-(1-hydroxy-1-methyl-ethyl)-3a-methyl-6-methylol-2,3,4,7,8,8a-hexahydroazulene-1,2-diol

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
Trypanosoma brucei polo-like protein kinase 0.0101 0.7723 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.2816 0.361
Echinococcus granulosus intermediate filament protein 0.0027 0.1261 0.1586
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.005 0.329 0.329
Trichomonas vaginalis CAMK family protein kinase 0.0101 0.7723 1
Brugia malayi intermediate filament protein 0.0027 0.1261 0.1111
Loa Loa (eye worm) hypothetical protein 0.0027 0.1218 0.1218
Schistosoma mansoni serine/threonine protein kinase 0.0101 0.7723 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0015 0.0255 0.0276
Loa Loa (eye worm) TAR-binding protein 0.0065 0.4553 0.4553
Loa Loa (eye worm) hypothetical protein 0.0033 0.1819 0.1819
Brugia malayi RNA recognition motif domain containing protein 0.0065 0.4553 0.446
Brugia malayi serine/threonine-protein kinase plk-2 0.0101 0.7723 0.7685
Loa Loa (eye worm) hypothetical protein 0.0015 0.0255 0.0255
Schistosoma mansoni serine/threonine protein kinase 0.005 0.329 0.4064
Schistosoma mansoni intermediate filament proteins 0.0027 0.1261 0.1347
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0101 0.7723 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.3167 0.305
Echinococcus granulosus mitogen activated protein kinase 0.005 0.329 0.4228
Trichomonas vaginalis CAMK family protein kinase 0.0101 0.7723 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.2816 0.361
Schistosoma mansoni lamin 0.0027 0.1261 0.1347
Loa Loa (eye worm) hypothetical protein 0.0049 0.3167 0.3167
Schistosoma mansoni tar DNA-binding protein 0.0065 0.4553 0.5755
Loa Loa (eye worm) RNA binding protein 0.0065 0.4553 0.4553
Trichomonas vaginalis CAMK family protein kinase 0.0101 0.7723 1
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0101 0.7723 1
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0101 0.7723 1
Brugia malayi TAR-binding protein 0.0065 0.4553 0.446
Echinococcus multilocularis mitogen activated protein kinase 3 0.005 0.329 0.4228
Echinococcus multilocularis lamin 0.0027 0.1261 0.1586
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.2816 0.2816
Echinococcus granulosus lamin 0.0027 0.1261 0.1586
Brugia malayi MAP kinase sur-1 0.005 0.329 0.3175
Entamoeba histolytica serine/threonine protein kinase, putative 0.0101 0.7723 0.5
Schistosoma mansoni tar DNA-binding protein 0.0065 0.4553 0.5755
Echinococcus granulosus GPCR family 2 0.0015 0.0255 0.0276
Loa Loa (eye worm) hypothetical protein 0.0027 0.1261 0.1261
Echinococcus multilocularis GPCR, family 2 0.0015 0.0255 0.0276
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.2816 0.3429
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.2816 0.361
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0015 0.0255 0.0276
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0101 0.7723 0.7723
Schistosoma mansoni lamin 0.0027 0.1261 0.1347
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0015 0.0255 0.0276
Trichomonas vaginalis CAMK family protein kinase 0.005 0.3291 0.0003
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.1261 0.1261
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.2816 0.3429
Echinococcus multilocularis tar DNA binding protein 0.0065 0.4553 0.5872
Loa Loa (eye worm) transcription factor SMAD2 0.0127 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.2816 0.3429
Trichomonas vaginalis CAMK family protein kinase 0.0101 0.7723 1
Echinococcus multilocularis musashi 0.0027 0.1261 0.1586
Onchocerca volvulus Serine\/threonine kinase homolog 0.0101 0.7723 1
Trichomonas vaginalis CAMK family protein kinase 0.005 0.3291 0.0003
Echinococcus granulosus tar DNA binding protein 0.0065 0.4553 0.5872
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.1261 0.1111
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.2816 0.2693
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.3167 0.3167
Echinococcus granulosus mitogen activated protein kinase 3 0.005 0.329 0.4228
Trypanosoma cruzi polo-like protein kinase, putative 0.0101 0.7723 1
Loa Loa (eye worm) hypothetical protein 0.0013 0.0043 0.0043
Schistosoma mansoni kinase 0.0052 0.3407 0.4221
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.3167 0.305
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.0168 0.0168
Echinococcus multilocularis mitogen activated protein kinase 0.005 0.329 0.4228
Schistosoma mansoni hypothetical protein 0.0033 0.1819 0.2094
Trichomonas vaginalis CAMK family protein kinase 0.0101 0.7723 1
Brugia malayi RNA binding protein 0.0065 0.4553 0.446
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0065 0.4553 0.4553
Echinococcus granulosus lamin dm0 0.0027 0.1261 0.1586
Giardia lamblia Kinase, PLK 0.0101 0.7723 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0127 1 1
Echinococcus multilocularis lamin dm0 0.0027 0.1261 0.1586
Loa Loa (eye worm) intermediate filament protein 0.0027 0.1261 0.1261
Schistosoma mansoni tar DNA-binding protein 0.0065 0.4553 0.5755
Trichomonas vaginalis CAMK family protein kinase 0.0101 0.7723 1
Brugia malayi Latrophilin receptor protein 2 0.0015 0.0255 0.0089
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.1819 0.1679
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.005 0.329 0.5
Schistosoma mansoni tar DNA-binding protein 0.0065 0.4553 0.5755
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.2816 0.361
Loa Loa (eye worm) latrophilin receptor protein 2 0.0015 0.0255 0.0255
Trichomonas vaginalis CAMK family protein kinase 0.0101 0.7723 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0015 0.0255 0.0276
Trypanosoma cruzi polo-like protein kinase, putative 0.0101 0.7723 1
Schistosoma mansoni tar DNA-binding protein 0.0065 0.4553 0.5755
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0015 0.0255 0.0089

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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