Detailed information for compound 15895

Basic information

Technical information
  • TDR Targets ID: 15895
  • Name: oxolane
  • MW: 72.1057 | Formula: C4H8O
  • H donors: 0 H acceptors: 0 LogP: 0.57 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: C1CCCO1
  • InChi: 1S/C4H8O/c1-2-4-5-3-1/h1-4H2
  • InChiKey: WYURNTSHIVDZCO-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • tetrahydrofuran
  • poly(tetrahydrofuran)
  • 77392-70-2
  • 24979-97-3
  • 109-99-9
  • NCGC00090740-01
  • AIDS-001592
  • AIDS001592
  • THYMIC HUMORAL FACTOR
  • 401757_ALDRICH
  • 87368_FLUKA
  • 87369_FLUKA
  • butane alpha,delta-oxide
  • Furan, tetrahydro-, homopolymer
  • Cyclotetramethylene
  • 494461_ALDRICH
  • 87371_FLUKA
  • 242888_ALDRICH
  • Butane .alpha.,.delta.-oxide
  • Butane, 1,4-epoxy-
  • Cyclotetramethylene oxide
  • Furan, tetrahydro-
  • Furanidine
  • Hydrofuran
  • NSC57858
  • Oxacyclopentane
  • Tetrahydrofuraan
  • Tetrahydrofuranne
  • Tetraidrofurano
  • Tetramethylene oxide
  • WLN: T5OTJ
  • Diethylene oxide 1,4-Epoxybutane
  • c0019
  • THF
  • 72827_FLUKA
  • Mobile Phase A for separation of amino acids on ABI sequencers
  • Tetrahydrofuran solution
  • 1,4-Epoxybutane
  • AI3-07570
  • Agrisynth THF
  • Butane, alpha,delta-oxide
  • CCRIS 6276
  • EINECS 203-726-8
  • HSDB 125
  • NCI-C60560
  • NSC 57858
  • RCRA waste no. U213
  • RCRA waste number U213
  • Tetrahydrofuraan [Dutch]
  • Tetrahydrofuran [UN2056] [Flammable liquid]
  • Tetrahydrofuranne [French]
  • Tetraidrofurano [Italian]
  • UN2056
  • 186562_ALDRICH
  • 568775_ALDRICH
  • 178810_ALDRICH
  • 676764_SIAL
  • Polytetrahydrofuran
  • 360589_SIAL
  • 78445_FLUKA
  • 34865_SIAL
  • 33709_RIEDEL
  • ST5214349
  • CHEBI:26911
  • 34946_RIEDEL
  • Butylene oxide
  • InChI=1/C4H8O/c1-2-4-5-3-1/h1-4H

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 cruzi S-adenosylhomocysteine hydrolase, putative 0.0391 1 0.5
Trichomonas vaginalis adenosylhomocysteinase, putative 0.0391 1 1
Plasmodium vivax adenosylhomocysteinase(S-adenosyl-L-homocystein e hydrolase), putative 0.0391 1 0.5
Toxoplasma gondii S-Adenosyl homocysteine hydrolase 0.0391 1 0.5
Mycobacterium ulcerans S-adenosyl-L-homocysteine hydrolase 0.0391 1 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0184 0.0435 0.0435
Trichomonas vaginalis glucosylceramidase, putative 0.0266 0.4236 0.4236
Trichomonas vaginalis adenosylhomocysteinase, putative 0.0391 1 1
Echinococcus multilocularis adenosylhomocysteinase 0.0391 1 0.5
Trypanosoma brucei S-adenosylhomocysteine hydrolase, putative 0.0391 1 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0266 0.4236 0.4236
Trichomonas vaginalis glucosylceramidase, putative 0.0266 0.4236 0.4236
Onchocerca volvulus Glucosylceramidase homolog 0.0175 0 0.5
Mycobacterium tuberculosis Probable adenosylhomocysteinase SahH (S-adenosyl-L-homocysteine hydrolase) (adohcyase) 0.0391 1 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0184 0.0435 0.0435
Trichomonas vaginalis glucosylceramidase, putative 0.0266 0.4236 0.4236
Entamoeba histolytica adenosylhomocysteinase, putative 0.0391 1 0.5
Toxoplasma gondii adenosylhomocysteinase, putative 0.0391 1 0.5
Plasmodium falciparum adenosylhomocysteinase 0.0391 1 0.5
Loa Loa (eye worm) adenosylhomocysteinase 0.0391 1 1
Schistosoma mansoni adenosylhomocysteinase 0.0391 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.0266 0.4236 0.4236
Trichomonas vaginalis glucosylceramidase, putative 0.0266 0.4236 0.4236
Echinococcus granulosus adenosylhomocysteinase 0.0391 1 0.5
Mycobacterium leprae putative S-adenosyl-L-homocysteine hydrolase SahH 0.0391 1 0.5
Leishmania major S-adenosylhomocysteine hydrolase 0.0391 1 0.5
Trypanosoma cruzi S-adenosylhomocysteine hydrolase, putative 0.0391 1 0.5

Activities

Activity type Activity value Assay description Source Reference
Log LC50 (ADMET) = 1.815 Toxicity determined using Golden Orfe Fish Test ChEMBL. 2033592
Log S = 0.49 Aqueous solubility ChEMBL. 10866370
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
pTD50 (ADMET) = 1.233 Hepatotoxicity in mouse assessed as carcinogenic potency ChEMBL. 19272677

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

3 literature references were collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.