Detailed information for compound 1628113

Basic information

Technical information
  • TDR Targets ID: 1628113
  • Name: 2,6,7-trichloro-7-methyl-3-methylideneoct-1-e ne
  • MW: 241.585 | Formula: C10H15Cl3
  • H donors: 0 H acceptors: 0 LogP: 5.01 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: ClC(=C)C(=C)CCC(C(Cl)(C)C)Cl
  • InChi: 1S/C10H15Cl3/c1-7(8(2)11)5-6-9(12)10(3,4)13/h9H,1-2,5-6H2,3-4H3
  • InChiKey: DMHZLBNRKGXNIJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2,6,7-trichloro-7-methyl-3-methylene-oct-1-ene
  • 2,6,7-trichloro-7-methyl-3-methyleneoct-1-ene
  • 2-chloro-3-(3,4-dichloro-4-methyl-pentyl)buta-1,3-diene
  • 2,6,7-trichloro-7-methyl-3-methylidene-oct-1-ene
  • NCI60_024957
  • NSC670808

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
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0095 0.0793 0.0793
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0076 0.055 0.6931
Echinococcus multilocularis mitogen activated protein kinase 3 0.083 1 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0095 0.0793 1
Giardia lamblia Kinase, CMGC MAPK 0.083 1 1
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0095 0.0793 0.0793
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.083 1 1
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0065 0.042 0.042
Schistosoma mansoni serine/threonine protein kinase 0.0455 0.5304 0.5304
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.083 1 1
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0179 0.1843 0.1526
Loa Loa (eye worm) phosphatidylinositol 3 0.0159 0.1599 0.1581
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0065 0.042 0.042
Loa Loa (eye worm) CMGC/MAPK/JNK protein kinase 0.0455 0.5304 0.5294
Entamoeba histolytica hypothetical protein 0.0076 0.055 0.6931
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.083 1 1
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0095 0.0793 0.0793
Trypanosoma brucei protein kinase, putative 0.083 1 1
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0084 0.0651 0.0651
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.083 1 1
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0092 0.0758 0.9555
Echinococcus multilocularis mitogen activated protein kinase 0.083 1 1
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.083 1 0.5
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.083 1 0.5
Echinococcus multilocularis c Jun NH2 terminal kinase 0.0455 0.5304 0.5122
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0062 0.0373 0.0373
Echinococcus granulosus c-Jun N-terminal kinases 0.0455 0.5304 0.5122
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0179 0.1843 0.1843
Loa Loa (eye worm) hypothetical protein 0.0062 0.0373 0.0353
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0179 0.1843 0.1526
Trichomonas vaginalis CMGC family protein kinase 0.083 1 1
Brugia malayi Stress-activated protein kinase jnk-1 0.0455 0.5304 0.5304
Echinococcus granulosus mitogen activated protein kinase 3 0.083 1 1
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.083 1 1
Trichomonas vaginalis CMGC family protein kinase 0.083 1 1
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0095 0.0793 0.0793
Trichomonas vaginalis CMGC family protein kinase 0.083 1 1
Echinococcus granulosus mitogen activated protein kinase 0.083 1 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0042 0.013 0.1637
Schistosoma mansoni serine/threonine protein kinase 0.083 1 1
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0095 0.0793 0.0793
Trichomonas vaginalis CMGC family protein kinase 0.083 1 1
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.083 1 0.5
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.083 1 1
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0095 0.0793 0.0793

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 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 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 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 SK-MEL-5 Melanoma 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 SF-539 Central Nervous System 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 MALME-3M 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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