Detailed information for compound 556955

Basic information

Technical information
  • TDR Targets ID: 556955
  • Name: 2-chloro-N-(hydroxymethyl)acetamide
  • MW: 123.538 | Formula: C3H6ClNO2
  • H donors: 2 H acceptors: 2 LogP: -0.42 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCNC(=O)CCl
  • InChi: 1S/C3H6ClNO2/c4-1-3(7)5-2-6/h6H,1-2H2,(H,5,7)
  • InChiKey: TXNSZCSYBXHETP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-chloro-N-(hydroxymethyl)ethanamide
  • 2-chloro-N-methylol-acetamide
  • N-methylol-chloracetamide
  • 2832-19-1
  • Grotan DF-35
  • NSC 9963
  • N-Hydroxymethyl-2-chloroacetamide
  • NSC9963
  • ZINC01700274
  • 422835_ALDRICH
  • SBB004273
  • Acetamide, 2-chloro-N-(hydroxymethyl)-
  • AI3-62444
  • BRN 1811765
  • CCRIS 4390
  • Caswell No. 192BB
  • Chloracetamide-N-methanol
  • Chloracetamide-N-metholol
  • EINECS 220-598-9
  • EPA Pesticide Chemical Code 109501
  • Grota

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
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0031 0.0105 0.0105
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0123 0.0751 0.0751
Schistosoma mansoni hypothetical protein 0.0166 0.1055 0.2284
Echinococcus multilocularis microtubule associated protein 2 0.0675 0.4617 0.4617
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0123 0.0751 0.0751
Echinococcus multilocularis geminin 0.0166 0.1055 0.1055
Brugia malayi latrophilin 2 splice variant baaae 0.0067 0.0356 0.2332
Schistosoma mansoni hypothetical protein 0.0031 0.0105 0.0227
Schistosoma mansoni cellular tumor antigen P53 0.0048 0.0227 0.0492
Brugia malayi Latrophilin receptor protein 2 0.0031 0.0105 0.0687
Loa Loa (eye worm) hypothetical protein 0.0031 0.0105 0.0687
Loa Loa (eye worm) MH2 domain-containing protein 0.0234 0.1528 1
Schistosoma mansoni hypothetical protein 0.0067 0.0356 0.0772
Echinococcus granulosus GPCR family 2 0.0031 0.0105 0.0105
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0098 0.0573 0.375
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0203 0.044
Onchocerca volvulus 0.0148 0.0928 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.0105 0.0687
Loa Loa (eye worm) hypothetical protein 0.0148 0.0928 0.6075
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0203 0.1329
Loa Loa (eye worm) hypothetical protein 0.0098 0.0573 0.375
Echinococcus multilocularis tumor protein p63 0.033 0.2204 0.2204
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0203 0.044
Brugia malayi hypothetical protein 0.0148 0.0928 0.6075
Schistosoma mansoni hypothetical protein 0.0031 0.0105 0.0227
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.0105 0.0687
Echinococcus multilocularis thyroid hormone receptor alpha 0.0133 0.082 0.082
Loa Loa (eye worm) transcription factor SMAD2 0.0234 0.1528 1
Echinococcus granulosus microtubule associated protein 2 0.0675 0.4617 0.4617
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0203 0.0203
Schistosoma mansoni hypothetical protein 0.0031 0.0105 0.0227
Brugia malayi Calcitonin receptor-like protein seb-1 0.0098 0.0573 0.375
Schistosoma mansoni thyroid hormone receptor 0.0133 0.082 0.1776
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0203 0.0203
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0203 0.0203
Schistosoma mansoni thyroid hormone receptor 0.0133 0.082 0.1776
Schistosoma mansoni hypothetical protein 0.0123 0.0751 0.1626
Loa Loa (eye worm) hypothetical protein 0.0048 0.0227 0.1487
Schistosoma mansoni hypothetical protein 0.0031 0.0105 0.0227
Echinococcus multilocularis thymidine phosphorylase 0.1443 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0203 0.044
Mycobacterium ulcerans thymidine phosphorylase 0.1443 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0203 0.0203
Loa Loa (eye worm) hypothetical protein 0.0067 0.0356 0.2332
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0031 0.0105 0.0105
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0797 0.5469 0.5469
Schistosoma mansoni microtubule-associated protein tau 0.0675 0.4617 1
Mycobacterium tuberculosis Probable thymidine phosphorylase DeoA (tdrpase) (pyrimidine phosphorylase) 0.1443 1 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0031 0.0105 0.0105
Mycobacterium leprae Probable anthranilate phosphoribosyltransferase TrpD 0.0407 0.2742 0.5
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0203 0.1329
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0098 0.0573 0.375
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0031 0.0105 0.0105
Schistosoma mansoni hypothetical protein 0.0166 0.1055 0.2284
Echinococcus granulosus tumor protein p63 0.033 0.2204 0.2204
Echinococcus granulosus geminin 0.0166 0.1055 0.1055
Echinococcus multilocularis GPCR, family 2 0.0031 0.0105 0.0105
Brugia malayi MH2 domain containing protein 0.0234 0.1528 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 27.306 uM PubChem BioAssay: Tox21. qHTS assay for small molecule agonists of the antioxidant response element (ARE) signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference

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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