Detailed information for compound 1873489

Basic information

Technical information
  • TDR Targets ID: 1873489
  • Name: 142-30-3
  • MW: 142.196 | Formula: C8H14O2
  • H donors: 2 H acceptors: 2 LogP: 0.1 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(C#CC(O)(C)C)(O)C
  • InChi: 1S/C8H14O2/c1-7(2,9)5-6-8(3,4)10/h9-10H,1-4H3
  • InChiKey: IHJUECRFYCQBMW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2,5-dimethylhex-3-yne-2,5-diol
  • 2,5-Dimethylhexyne-2,5-diol
  • 2,5-Dimethyl-3-hexyne-2,5-diol
  • 222623_ALDRICH
  • 3-Hexyne-2,5-diol, 2,5-dimethyl-
  • Acetylenepinacol
  • AI3-14500
  • AIDS-017555
  • AIDS017555
  • D 43
  • D 43 (VAN)
  • Dimethylhexynediol
  • EINECS 205-533-4
  • HSDB 5639
  • Kemitracin-50
  • NSC 117261
  • NSC117261
  • NSC8340
  • Olfine Y
  • Tetramethylbutynediol
  • Tetramethyl-2-butynediol
  • ZERO/001274
  • ZINC00109506

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 integrin beta subunit 0.013 0.2842 0.247
Schistosoma mansoni hypothetical protein 0.0372 1 1
Entamoeba histolytica acetyltransferase, GNAT family 0.0039 0.0156 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.0494 0.024
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0229 0.5794 0.9131
Loa Loa (eye worm) hypothetical protein 0.0063 0.086 0.1355
Loa Loa (eye worm) matrixin family protein 0.0139 0.3111 0.4903
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.005 0.0494 0.0778
Echinococcus multilocularis geminin 0.0372 1 1
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0248 0.6346 1
Trichomonas vaginalis conserved hypothetical protein 0.0118 0.2501 1
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.0063 0.086 0.0385
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0227 0.5732 0.551
Brugia malayi hypothetical protein 0.0118 0.2501 0.3941
Mycobacterium ulcerans thymidylate synthase 0.0248 0.6346 1
Onchocerca volvulus Matrilysin homolog 0.0139 0.3111 0.4104
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0248 0.6346 0.5
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.005 0.0494 0.0778
Brugia malayi Matrixin family protein 0.0063 0.086 0.1355
Loa Loa (eye worm) hypothetical protein 0.0076 0.1263 0.199
Schistosoma mansoni matrix metallopeptidase-9 (M10 family) 0.0149 0.3402 0.3059
Onchocerca volvulus Matrix metalloproteinase homolog 0.0139 0.3111 0.4104
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0248 0.6346 1
Loa Loa (eye worm) thymidylate synthase 0.0248 0.6346 1
Onchocerca volvulus 0.0089 0.1633 0.1408
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0144 0.3256 0.2906
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0248 0.6346 0.6156
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0144 0.3256 0.2906
Mycobacterium tuberculosis Hypothetical protein 0.0118 0.2501 0.2435
Echinococcus multilocularis integrin beta 2 0.0163 0.383 0.3509
Brugia malayi Integrin beta pat-3 precursor 0.022 0.5516 0.8693
Brugia malayi follicle stimulating hormone receptor 0.0229 0.5794 0.9131
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0248 0.6346 1
Giardia lamblia Histone acetyltransferase GCN5 0.0039 0.0156 0.5
Loa Loa (eye worm) acetyltransferase 0.0144 0.3256 0.5131
Loa Loa (eye worm) hypothetical protein 0.0063 0.086 0.1355
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0248 0.6346 1
Brugia malayi acetyltransferase, GNAT family protein 0.0144 0.3256 0.5131
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0248 0.6346 0.5
Brugia malayi Matrixin family protein 0.0063 0.086 0.1355
Echinococcus multilocularis thymidylate synthase 0.0248 0.6346 0.6156
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.0494 0.024
Schistosoma mansoni hypothetical protein 0.0372 1 1
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0248 0.6346 1
Brugia malayi Matrixin family protein 0.0063 0.086 0.1355
Brugia malayi thymidylate synthase 0.0248 0.6346 1
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0248 0.6346 1
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0076 0.1263 0.199
Brugia malayi Matrixin family protein 0.0063 0.086 0.1355
Echinococcus granulosus histone acetyltransferase KAT2B 0.014 0.3137 0.2954
Loa Loa (eye worm) hypothetical protein 0.0063 0.086 0.1355
Loa Loa (eye worm) integrin beta-2 0.022 0.5516 0.8693
Schistosoma mansoni hypothetical protein 0.0089 0.1633 0.1198
Echinococcus granulosus integrin beta 2 0.0163 0.383 0.3665
Loa Loa (eye worm) matrix metalloproteinase 0.0063 0.086 0.1355
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.0227 0.5732 0.5618
Echinococcus granulosus thymidylate synthase 0.0248 0.6346 0.6248
Brugia malayi Matrixin family protein 0.0151 0.3481 0.5486
Brugia malayi Hemopexin family protein 0.0089 0.1633 0.2573
Onchocerca volvulus 0.0248 0.6346 1
Loa Loa (eye worm) matrixin family protein 0.0151 0.3481 0.5486

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.
 
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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