Detailed information for compound 1603168

Basic information

Technical information
  • TDR Targets ID: 1603168
  • Name: 3,3-Bis(chloromethyl)oxetane
  • MW: 155.022 | Formula: C5H8Cl2O
  • H donors: 0 H acceptors: 0 LogP: 1.15 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: ClCC1(CCl)COC1
  • InChi: 1S/C5H8Cl2O/c6-1-5(2-7)3-8-4-5/h1-4H2
  • InChiKey: CXURGFRDGROIKG-UHFFFAOYSA-N  

Network

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Synonyms

  • 78-71-7
  • 25323-58-4
  • Oxetane, 3,3-bis-(chloromethyl)
  • 3,3-Dichloromethyloxycyclobutane
  • 5-17-01-00085 (Beilstein Handbook Reference)
  • BRN 0103354
  • Bcmo
  • EINECS 201-136-5
  • HSDB 6322
  • OXETANE, 3,3-BIS(CHLOROMETHYL)-
  • Penton
  • AIDS-139938
  • AIDS139938
  • NSC650608
  • 3,3-Bis(chloromethyl)-oxetane
  • NCI60_017598
  • Oxetane, 3,3-bis(chloromethyl)-, homopolymer

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 hypothetical protein, conserved 0.0286 0.3142 1
Loa Loa (eye worm) hypothetical protein 0.014 0.1206 0.1206
Trypanosoma cruzi WLM domain containing protein, putative 0.0286 0.3142 1
Toxoplasma gondii ran binding protein 0.0286 0.3142 0.3137
Loa Loa (eye worm) hypothetical protein 0.0286 0.3142 0.3142
Echinococcus multilocularis ring and YY1 binding protein 0.0286 0.3142 0.3137
Giardia lamblia Kinase, CMGC CDK 0.0049 0.0007 0.5
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0286 0.3142 0.3137
Trypanosoma cruzi WLM domain containing protein, putative 0.0286 0.3142 1
Schistosoma mansoni zinc finger protein 0.0286 0.3142 0.3137
Echinococcus multilocularis Nuclear pore complex protein Nup153 0.0286 0.3142 0.3137
Leishmania major hypothetical protein, conserved 0.0286 0.3142 1
Loa Loa (eye worm) hypothetical protein 0.0286 0.3142 0.3142
Trypanosoma brucei mitochondrial RNA binding complex 1 subunit 0.0286 0.3142 1
Loa Loa (eye worm) hypothetical protein 0.0286 0.3142 0.3142
Schistosoma mansoni fusion 0.0286 0.3142 0.3137
Schistosoma mansoni TRABID protein (C64 family) 0.0286 0.3142 0.3137
Echinococcus multilocularis cyclin dependent kinase 5 activator 1 0.0292 0.322 0.3215
Schistosoma mansoni hypothetical protein 0.0804 1 1
Giardia lamblia Kinase, CMGC CDK 0.0049 0.0007 0.5
Trypanosoma cruzi Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0286 0.3142 1
Brugia malayi SWIB/MDM2 domain containing protein 0.0804 1 1
Schistosoma mansoni brg-1 associated factor 0.0804 1 1
Schistosoma mansoni RNA binding protein 0.0286 0.3142 0.3137
Echinococcus multilocularis SWI:SNF matrix associated 0.0804 1 1
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0049 0.0007 0.0007
Leishmania major hypothetical protein, conserved 0.0286 0.3142 1
Echinococcus multilocularis SWI:SNF matrix associated 0.0804 1 1
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0804 1 1
Echinococcus multilocularis zinc finger protein Ran binding 0.0286 0.3142 0.3137
Loa Loa (eye worm) SWIB/MDM2 domain-containing protein 0.0804 1 1
Schistosoma mansoni hypothetical protein 0.0804 1 1
Entamoeba histolytica cell division protein kinase 2, putative 0.0049 0.0007 0.5
Echinococcus granulosus ring and YY1 binding protein 0.0286 0.3142 0.3137
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0286 0.3142 0.3137
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0804 1 1
Loa Loa (eye worm) hypothetical protein 0.0286 0.3142 0.3142
Schistosoma mansoni hypothetical protein 0.0286 0.3142 0.3137
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0049 0.0007 0.0007
Loa Loa (eye worm) hypothetical protein 0.014 0.1206 0.1206
Plasmodium vivax SWIB/MDM2 domain-containing protein, putative 0.0804 1 1
Echinococcus granulosus cyclin dependent kinase 5 activator 1 0.0292 0.322 0.3215
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0286 0.3142 0.3137
Echinococcus granulosus Upstream activation factor subunit UAF30 0.0804 1 1
Trypanosoma brucei Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0286 0.3142 1
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0286 0.3142 0.3137
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0286 0.3142 1
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.0804 1 1
Loa Loa (eye worm) hypothetical protein 0.0292 0.322 0.322
Echinococcus granulosus Nuclear pore complex protein Nup153 0.0286 0.3142 0.3137
Entamoeba histolytica cell division protein kinase 2, putative 0.0049 0.0007 0.5
Trypanosoma brucei hypothetical protein, conserved 0.0286 0.3142 1
Brugia malayi brahma associated protein 60 kDa 0.0804 1 1
Loa Loa (eye worm) brahma associated protein 0.0804 1 1
Schistosoma mansoni hypothetical protein 0.0804 1 1
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0286 0.3142 1
Leishmania major hypothetical protein, conserved 0.0286 0.3142 1
Toxoplasma gondii Zn-finger in Ran binding protein and others domain-containing protein 0.0286 0.3142 0.3137
Brugia malayi hypothetical protein 0.014 0.1206 0.1199
Chlamydia trachomatis DNA topoisomerase I 0.0804 1 0.5
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0286 0.3142 1
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0049 0.0007 0.0007
Trypanosoma cruzi hypothetical protein, conserved 0.0286 0.3142 1
Trypanosoma brucei hypothetical protein, conserved 0.0286 0.3142 1
Leishmania major hypothetical protein, conserved 0.0286 0.3142 1
Echinococcus granulosus zinc finger protein Ran binding 0.0286 0.3142 0.3137
Toxoplasma gondii SWIB/MDM2 domain-containing protein 0.0804 1 1
Leishmania major hypothetical protein, conserved 0.0286 0.3142 1
Plasmodium falciparum zinc finger Ran-binding domain-containing protein 2, putative 0.0286 0.3142 0.3137
Plasmodium vivax hypothetical protein, conserved 0.0804 1 1
Echinococcus granulosus Zinc finger RanBP2 type 0.0286 0.3142 0.3137
Echinococcus multilocularis Zinc finger, RanBP2 type 0.0286 0.3142 0.3137
Schistosoma mansoni cyclin-dependent kinase 5 activator 0.0292 0.322 0.3215
Loa Loa (eye worm) hypothetical protein 0.0286 0.3142 0.3142
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0286 0.3142 1
Brugia malayi YY1-associated factor 2 0.0286 0.3142 0.3137
Chlamydia trachomatis SWIB complex protein 0.0804 1 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0804 1 1
Echinococcus multilocularis SWI:SNF matrix associated 0.0804 1 1
Onchocerca volvulus 0.0804 1 1
Echinococcus granulosus SWI:SNF matrix associated 0.0804 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0286 0.3142 1
Echinococcus multilocularis Upstream activation factor subunit UAF30 0.0804 1 1

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (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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