Detailed information for compound 1628495

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 420.203 | Formula: C19H22Cl4N2
  • H donors: 0 H acceptors: 0 LogP: 6.67 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: ClCCCN(c1ccc(cc1)/C=N/c1cccc(c1)Cl)CCCCl.Cl
  • InChi: 1S/C19H21Cl3N2.ClH/c20-10-2-12-24(13-3-11-21)19-8-6-16(7-9-19)15-23-18-5-1-4-17(22)14-18;/h1,4-9,14-15H,2-3,10-13H2;1H/b23-15+;
  • InChiKey: ADOKPIXPXIWSKR-BUGNPGDCSA-N  

Network

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Synonyms

No synonyms found for this compound

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 aurora kinase A 0.0117 0.0552 0.0552
Echinococcus granulosus aurora kinase A 0.0117 0.0552 0.0552
Echinococcus multilocularis family S10 non peptidase ue (S10 family) 0.1041 0.8961 0.8961
Echinococcus multilocularis serine threonine protein kinase nrc serine threonine protein kinase gad 0.0058 0.0014 0.0014
Trypanosoma brucei serine peptidase, Clan SC, Family S10 0.1155 1 1
Echinococcus multilocularis lysosomal protective protein 0.1155 1 1
Echinococcus granulosus family S10 non peptidase ue S10 family 0.1041 0.8961 0.8961
Schistosoma mansoni family S10 non-peptidase homologue (S10 family) 0.1155 1 1
Onchocerca volvulus Uncharacterized serine carboxypeptidase homolog 0.1155 1 0.5
Trypanosoma cruzi serine carboxypeptidase (CBP1), putative 0.1155 1 1
Schistosoma mansoni family S10 unassigned peptidase (S10 family) 0.1155 1 1
Trichomonas vaginalis AGC family protein kinase 0.0117 0.0552 1
Trypanosoma brucei aurora B kinase 0.0117 0.0552 0.0284
Trypanosoma cruzi aurora B kinase, putative 0.0117 0.0552 0.0538
Giardia lamblia Aurora kinase 0.0117 0.0552 1
Entamoeba histolytica serine/threonine protein kinase 6, putative 0.0117 0.0552 1
Schistosoma mansoni protein kinase 0.0117 0.0552 0.0538
Loa Loa (eye worm) hypothetical protein 0.1155 1 1
Echinococcus multilocularis rac serine:threonine kinase 0.0058 0.0014 0.0014
Loa Loa (eye worm) AUR protein kinase 0.0117 0.0552 0.0284
Brugia malayi serine/threonine kinase 12 0.0117 0.0552 0.0284
Entamoeba histolytica serine/threonine- protein kinase 6, putative 0.0117 0.0552 1
Plasmodium vivax serine/threonine protein kinase 6, putative 0.0117 0.0552 1
Trypanosoma cruzi serine carboxypeptidase (CBP1), putative 0.1155 1 1
Schistosoma mansoni lysosomal protective protein precursor (cathepsin A) (carboxypeptidase 0.0114 0.0526 0.0512
Entamoeba histolytica protein kinase, putative 0.0117 0.0552 1
Toxoplasma gondii aurora kinase 0.0117 0.0552 1
Entamoeba histolytica protein kinase, putative 0.0087 0.0276 0.4871
Trypanosoma brucei serine peptidase, Clan SC, Family S10 0.1155 1 1
Trichomonas vaginalis AGC family protein kinase 0.0117 0.0552 1
Echinococcus granulosus lysosomal protective protein 0.1155 1 1
Brugia malayi serine/threonine-protein kinase 6 0.0117 0.0552 0.0284
Entamoeba histolytica protein kinase , putative 0.0117 0.0552 1
Plasmodium falciparum serine/threonine protein kinase, putative 0.0117 0.0552 1
Trypanosoma brucei serine peptidase, Clan SC, Family S10 0.1155 1 1
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.0117 0.0552 0.0552
Echinococcus granulosus serine:threonine protein kinase 12 B 0.0117 0.0552 0.0552
Entamoeba histolytica protein kinase, putative 0.0087 0.0276 0.4871
Trichomonas vaginalis AGC family protein kinase 0.0117 0.0552 1
Schistosoma mansoni serine/threonine protein kinase 0.0117 0.0552 0.0538
Entamoeba histolytica serine/threonine- protein kinase 6 , putative 0.0117 0.0552 1
Echinococcus granulosus serine/threonine protein kinase 0.0058 0.0014 0.0014
Brugia malayi serine/threonine protein kinase 6 0.0117 0.0552 0.0284
Entamoeba histolytica protein kinase, putative 0.0087 0.0276 0.4871
Trypanosoma cruzi serine peptidase, Clan SC, Family S10, putative 0.1155 1 1
Entamoeba histolytica protein kinase domain containing protein 0.0117 0.0552 1
Echinococcus granulosus calcium:calmodulin dependent protein kinase 0.0058 0.0014 0.0014
Leishmania major serine carboxypeptidase (CBP1), putative,serine peptidase, Clan SC, Family S10 0.1155 1 1
Loa Loa (eye worm) AUR protein kinase 0.0117 0.0552 0.0284
Loa Loa (eye worm) AUR protein kinase 0.0117 0.0552 0.0284
Trypanosoma cruzi serine peptidase, Clan SC, Family S10, putative 0.1155 1 1
Entamoeba histolytica protein kinase, putative 0.0117 0.0552 1
Trichomonas vaginalis AGC family protein kinase 0.0117 0.0552 1
Echinococcus granulosus serine threonine protein kinase nrc 0.0058 0.0014 0.0014

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -5.592 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) -5.139 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) -4.983 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) -4.901 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) -4.81 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) -4.8 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) -4.535 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) -4.274 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

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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