Detailed information for compound 553650

Basic information

Technical information
  • TDR Targets ID: 553650
  • Name: 1,1-dichloro-3,3-dimethyl-butan-2-one
  • MW: 169.049 | Formula: C6H10Cl2O
  • H donors: 0 H acceptors: 1 LogP: 2.69 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: ClC(C(=O)C(C)(C)C)Cl
  • InChi: 1S/C6H10Cl2O/c1-6(2,3)4(9)5(7)8/h5H,1-3H3
  • InChiKey: UDWZXMQIEHAAQT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1,1-dichloro-3,3-dimethyl-2-butanone
  • 1,1-dichloro-3,3-dimethylbutan-2-one
  • dichloropinacolin
  • 22591-21-5
  • 2-BUTANONE, 1,1-DICHLORO-3,3-DIMETHYL-
  • 4-01-00-03313 (Beilstein Handbook Reference)
  • BRN 1752918
  • Dichloromethyl tert-butyl ketone
  • Dichloropinakolin
  • EINECS 245-111-7
  • omega,omega-Dichlorpinakolin [German]
  • ZINC02015499

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
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0044 0.2166 0.5
Brugia malayi DIX domain containing protein 0.0009 0.0146 0.0146
Schistosoma mansoni dep domain containing protein 0.0009 0.0146 0.0178
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.1702 0.2128
Giardia lamblia Histone acetyltransferase GCN5 0.004 0.1955 0.5
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0542 0.0542
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0044 0.2166 1
Loa Loa (eye worm) RNA binding protein 0.007 0.3673 0.3673
Schistosoma mansoni hypothetical protein 0.0034 0.1593 0.1933
Schistosoma mansoni fyve finger-containing phosphoinositide kinase fyv1 0.0009 0.0146 0.0178
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.018 1 1
Echinococcus multilocularis regulator of G protein signaling 7 0.0009 0.0146 0.0178
Brugia malayi RNA binding protein 0.007 0.3673 0.3673
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.2351 0.2351
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0044 0.2166 1
Brugia malayi regulator of G-protein signaling egl-10 0.0009 0.0146 0.0146
Echinococcus multilocularis GPCR, family 2 0.0016 0.0542 0.0658
Brugia malayi hypothetical protein 0.0036 0.1702 0.1702
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.2351 0.2351
Schistosoma mansoni dishevelled 0.0009 0.0146 0.0178
Schistosoma mansoni tar DNA-binding protein 0.007 0.3673 0.4458
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0542 0.0658
Schistosoma mansoni z-protein (S1r protein) 0.0009 0.0146 0.0178
Schistosoma mansoni hypothetical protein 0.0016 0.0542 0.0658
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.1702 0.2066
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0542 0.0678
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.2351 0.2854
Loa Loa (eye worm) hypothetical protein 0.0009 0.0146 0.0146
Trypanosoma cruzi hypothetical protein 0.0006 0 0.5
Echinococcus granulosus GPCR family 2 0.0016 0.0542 0.0678
Schistosoma mansoni regulator of G protein signaling 0.0009 0.0146 0.0178
Entamoeba histolytica hypothetical protein 0.0036 0.1702 0.8704
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0009 0.0146 0.0146
Trypanosoma cruzi guanine nucleotide releasing protein, putative 0.0006 0 0.5
Echinococcus granulosus regulator of G protein signaling 7 0.0009 0.0146 0.0183
Echinococcus granulosus segment polarity protein dishevelled 0.0009 0.0146 0.0183
Echinococcus granulosus histone acetyltransferase KAT2B 0.0044 0.2166 0.2708
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0009 0.0146 0.0146
Brugia malayi TAR-binding protein 0.007 0.3673 0.3673
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.015 0.8238 1
Entamoeba histolytica hypothetical protein 0.0036 0.1702 0.8704
Brugia malayi RNA recognition motif domain containing protein 0.007 0.3673 0.3673
Schistosoma mansoni tar DNA-binding protein 0.007 0.3673 0.4458
Entamoeba histolytica acetyltransferase, GNAT family 0.004 0.1955 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.2498 0.2498
Echinococcus granulosus regulator of G protein signaling 7 0.0009 0.0146 0.0183
Echinococcus multilocularis segment polarity protein dishevelled 0.0009 0.0146 0.0178
Schistosoma mansoni dishevelled 0.0009 0.0146 0.0178
Loa Loa (eye worm) TAR-binding protein 0.007 0.3673 0.3673
Loa Loa (eye worm) acetyltransferase 0.015 0.8238 0.8238
Schistosoma mansoni hypothetical protein 0.0016 0.0542 0.0658
Loa Loa (eye worm) DIX domain-containing protein 0.0009 0.0146 0.0146
Echinococcus multilocularis regulator of G protein signaling 7 0.0009 0.0146 0.0178
Schistosoma mansoni hypothetical protein 0.0016 0.0542 0.0658
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0044 0.2166 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0542 0.0542
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.2498 0.2498
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.2351 0.294
Echinococcus multilocularis segment polarity protein dishevelled 0.0009 0.0146 0.0178
Echinococcus multilocularis tar DNA binding protein 0.007 0.3673 0.4458
Trichomonas vaginalis bromodomain-containing protein, putative 0.0044 0.2166 1
Brugia malayi acetyltransferase, GNAT family protein 0.015 0.8238 0.8238
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.2351 0.2854
Plasmodium falciparum histone acetyltransferase GCN5 0.004 0.1955 0.5
Schistosoma mansoni tar DNA-binding protein 0.007 0.3673 0.4458
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.2351 0.294
Entamoeba histolytica hypothetical protein 0.0036 0.1702 0.8704
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0542 0.0658
Onchocerca volvulus 0.0009 0.0146 0.0146
Brugia malayi hypothetical protein 0.0009 0.0146 0.0146
Loa Loa (eye worm) hypothetical protein 0.0034 0.1593 0.1593
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0542 0.0542
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.007 0.3673 0.3673
Trypanosoma cruzi hypothetical protein 0.0006 0 0.5
Entamoeba histolytica hypothetical protein 0.0036 0.1702 0.8704
Onchocerca volvulus Segment polarity protein dishevelled homolog 0.0009 0.0146 0.0146
Loa Loa (eye worm) hypothetical protein 0.0009 0.0146 0.0146
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0542 0.0678
Echinococcus multilocularis Pleckstrin G protein, interacting region 0.0009 0.0146 0.0178
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.2351 0.2854
Loa Loa (eye worm) hypothetical protein 0.0009 0.0146 0.0146
Schistosoma mansoni tar DNA-binding protein 0.007 0.3673 0.4458
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.2351 0.2854
Echinococcus granulosus tar DNA binding protein 0.007 0.3673 0.4593
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.2498 0.2498
Echinococcus granulosus histone acetyltransferase KAT2B 0.0146 0.7997 1
Brugia malayi hypothetical protein 0.0009 0.0146 0.0146
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.2351 0.2854
Schistosoma mansoni hypothetical protein 0.0016 0.0542 0.0658
Loa Loa (eye worm) hypothetical protein 0.005 0.2498 0.2498
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.1702 0.2066
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.1593 0.1593
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.015 0.8238 1
Schistosoma mansoni hypothetical protein 0.0036 0.1702 0.2066
Echinococcus granulosus segment polarity protein dishevelled 0.0009 0.0146 0.0183
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0009 0.0146 0.0146
Echinococcus granulosus Pleckstrin G protein interacting region 0.0009 0.0146 0.0183
Schistosoma mansoni tar DNA-binding protein 0.007 0.3673 0.4458
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0542 0.0542
Loa Loa (eye worm) hypothetical protein 0.018 1 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.
 
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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