Detailed information for compound 656164

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 351.159 | Formula: C16H9Cl2FN2O2
  • H donors: 1 H acceptors: 1 LogP: 4.19 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)/N=c/1\oc2c(Cl)cc(cc2cc1C(=O)N)Cl
  • InChi: 1S/C16H9Cl2FN2O2/c17-9-5-8-6-12(15(20)22)16(23-14(8)13(18)7-9)21-11-3-1-10(19)2-4-11/h1-7H,(H2,20,22)/b21-16-
  • InChiKey: LWOALQQLBCVOAU-PGMHBOJBSA-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
Onchocerca volvulus Peroxidase homolog 0.0089 0.0725 0.5
Loa Loa (eye worm) hypothetical protein 0.0089 0.0725 0.1671
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0245 0.4225 1
Loa Loa (eye worm) hypothetical protein 0.0089 0.0725 0.1671
Onchocerca volvulus Peroxidasin homolog 0.0089 0.0725 0.5
Onchocerca volvulus Peroxidasin homolog 0.0089 0.0725 0.5
Schistosoma mansoni tyrosine kinase 0.0127 0.1568 0.3711
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0245 0.4225 1
Schistosoma mansoni glucose transport protein 0.0245 0.4225 1
Loa Loa (eye worm) hypothetical protein 0.0089 0.0725 0.1671
Schistosoma mansoni hypothetical protein 0.0245 0.4225 1
Brugia malayi Protein kinase domain containing protein 0.007 0.0302 0.0279
Echinococcus multilocularis insulin receptor 0.0127 0.1568 0.3677
Brugia malayi Blistered cuticle protein 3 0.0089 0.0725 0.0704
Loa Loa (eye worm) animal heme peroxidase 0.0089 0.0725 0.1671
Onchocerca volvulus 0.0089 0.0725 0.5
Brugia malayi Sugar transporter family protein 0.0245 0.4225 0.4212
Loa Loa (eye worm) animal heme peroxidase 0.0089 0.0725 0.1671
Echinococcus granulosus peroxidasin 0.0089 0.0725 0.1671
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0245 0.4225 1
Toxoplasma gondii facilitative glucose transporter GT1 0.0245 0.4225 0.5
Loa Loa (eye worm) animal heme peroxidase 0.0089 0.0725 0.1671
Brugia malayi Animal haem peroxidase family protein 0.0089 0.0725 0.0704
Loa Loa (eye worm) hypothetical protein 0.0089 0.0725 0.1671
Loa Loa (eye worm) sugar transporter 0.0245 0.4225 1
Loa Loa (eye worm) TK/INSR protein kinase 0.0127 0.1568 0.3677
Onchocerca volvulus Peroxidase homolog 0.0089 0.0725 0.5
Loa Loa (eye worm) blistered cuticle protein 3 0.0089 0.0725 0.1671
Onchocerca volvulus 0.0089 0.0725 0.5
Schistosoma mansoni tyrosine kinase 0.0058 0.0023 0.0054
Loa Loa (eye worm) hypothetical protein 0.0089 0.0725 0.1671
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0245 0.4225 1
Brugia malayi hypothetical protein 0.0089 0.0725 0.0704
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0245 0.4225 1
Onchocerca volvulus 0.0089 0.0725 0.5
Schistosoma mansoni peroxidasin 0.0089 0.0725 0.1716
Loa Loa (eye worm) hypothetical protein 0.0089 0.0725 0.1671
Schistosoma mansoni glucose transport protein 0.0245 0.4225 1
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0127 0.1568 0.3677
Echinococcus granulosus insulin receptor 0.0127 0.1568 0.3677
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0245 0.4225 1
Echinococcus multilocularis General substrate transporter 0.0221 0.3685 0.8715
Loa Loa (eye worm) hypothetical protein 0.0089 0.0725 0.1671
Plasmodium vivax hexose transporter 0.0245 0.4225 0.5
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0245 0.4225 1
Onchocerca volvulus Dual oxidase homolog 0.0089 0.0725 0.5
Schistosoma mansoni tyrosine kinase 0.0058 0.0023 0.0054
Brugia malayi Animal haem peroxidase family protein 0.0089 0.0725 0.0704
Schistosoma mansoni tyrosine kinase 0.0127 0.1568 0.3711
Loa Loa (eye worm) hypothetical protein 0.0089 0.0725 0.1671
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0127 0.1568 0.3677
Loa Loa (eye worm) animal heme peroxidase 0.0089 0.0725 0.1671
Echinococcus granulosus General substrate transporter 0.0221 0.3685 0.8715
Loa Loa (eye worm) hypothetical protein 0.0089 0.0725 0.1671
Brugia malayi Animal haem peroxidase family protein 0.0089 0.0725 0.0704
Brugia malayi Animal haem peroxidase family protein 0.0089 0.0725 0.0704
Loa Loa (eye worm) hypothetical protein 0.0069 0.0279 0.0609
Schistosoma mansoni glucose transport protein 0.0245 0.4225 1
Brugia malayi Animal haem peroxidase family protein 0.0089 0.0725 0.0704
Echinococcus multilocularis peroxidasin 0.0089 0.0725 0.1671
Brugia malayi Protein kinase domain containing protein 0.0127 0.1568 0.1549
Plasmodium falciparum hexose transporter 0.0245 0.4225 0.5
Loa Loa (eye worm) hypothetical protein 0.0089 0.0725 0.1671
Brugia malayi Peroxidasin 0.0089 0.0725 0.0704
Echinococcus multilocularis solute carrier family 2, facilitated glucose 0.0245 0.4225 1
Loa Loa (eye worm) hypothetical protein 0.0089 0.0725 0.1671
Loa Loa (eye worm) hypothetical protein 0.0089 0.0725 0.1671
Loa Loa (eye worm) hypothetical protein 0.0089 0.0725 0.1671
Schistosoma mansoni peroxidasin 0.0089 0.0725 0.1716
Schistosoma mansoni tyrosine kinase 0.0058 0.0023 0.0054
Onchocerca volvulus Chorion peroxidase homolog 0.0089 0.0725 0.5
Loa Loa (eye worm) hypothetical protein 0.0089 0.0725 0.1671
Trichomonas vaginalis conserved hypothetical protein 0.0245 0.4225 0.5

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4.834 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) -4.777 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) -4.773 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) -4.722 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) -4.711 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) -4.678 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
GI50 (functional) -4.649 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) -4.588 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) -4.496 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) -4.193 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

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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