Detailed information for compound 1614847

Basic information

Technical information
  • TDR Targets ID: 1614847
  • Name: (3,4-dimethoxyphenyl)-[3-(4-phenylpiperazin-1 -yl)quinoxalin-2-yl]methanone
  • MW: 454.52 | Formula: C27H26N4O3
  • H donors: 0 H acceptors: 3 LogP: 4.88 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(ccc1OC)C(=O)c1nc2ccccc2nc1N1CCN(CC1)c1ccccc1
  • InChi: 1S/C27H26N4O3/c1-33-23-13-12-19(18-24(23)34-2)26(32)25-27(29-22-11-7-6-10-21(22)28-25)31-16-14-30(15-17-31)20-8-4-3-5-9-20/h3-13,18H,14-17H2,1-2H3
  • InChiKey: HDSMOJWPCOMYLP-UHFFFAOYSA-N  

Network

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Synonyms

  • (3,4-dimethoxyphenyl)-[3-(4-phenyl-1-piperazinyl)-2-quinoxalinyl]methanone
  • 2-(4-phenylpiperazinyl),3-(3,4-dimethoxybenzoyl)quinoxaline
  • NSC722509

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
Loa Loa (eye worm) hypothetical protein 0.0649 0.4331 0.4331
Echinococcus granulosus subfamily M14A unassigned peptidase 0.0729 0.5148 0.4936
Loa Loa (eye worm) plexin A 0.0265 0.0417 0.0417
Onchocerca volvulus 0.0729 0.5148 1
Echinococcus granulosus epidermal growth factor receptor 0.0556 0.339 0.3102
Brugia malayi plexin A 0.0265 0.0417 0.0417
Echinococcus multilocularis epidermal growth factor receptor 0.0556 0.339 0.3102
Brugia malayi Furin-like cysteine rich region family protein 0.0556 0.339 0.339
Onchocerca volvulus 0.0729 0.5148 1
Onchocerca volvulus 0.0729 0.5148 1
Onchocerca volvulus Subfamily M14A unassigned peptidase homolog 0.0729 0.5148 1
Loa Loa (eye worm) TK/ALK protein kinase 0.0932 0.7223 0.7223
Echinococcus granulosus epidermal growth factor receptor 0.0556 0.339 0.3102
Brugia malayi Protein kinase domain containing protein 0.0933 0.7226 0.7226
Brugia malayi Protein kinase domain containing protein 0.0673 0.4582 0.4582
Loa Loa (eye worm) TK/EGFR protein kinase 0.0556 0.339 0.339
Schistosoma mansoni tyrosine kinase 0.0556 0.339 0.339
Schistosoma mansoni tyrosine kinase 0.0532 0.3139 0.3139
Loa Loa (eye worm) hypothetical protein 0.0799 0.5864 0.5864
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0556 0.339 0.3102
Schistosoma mansoni tyrosine kinase 0.0532 0.3139 0.3139
Onchocerca volvulus 0.0729 0.5148 1
Echinococcus multilocularis epidermal growth factor receptor 0.0556 0.339 0.3102
Echinococcus multilocularis subfamily M14A unassigned peptidase 0.0729 0.5148 0.4936
Schistosoma mansoni tyrosine kinase 0.0556 0.339 0.339
Schistosoma mansoni subfamily M14A unassigned peptidase (M14 family) 0.0729 0.5148 0.5148
Loa Loa (eye worm) hypothetical protein 0.0604 0.3873 0.3873
Schistosoma mansoni tyrosine kinase 0.0556 0.339 0.339
Schistosoma mansoni tyrosine kinase 0.0532 0.3139 0.3139

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 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 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 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 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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