Detailed information for compound 289864

Basic information

Technical information
  • TDR Targets ID: 289864
  • Name: N-(2-dimethylaminoethyl)-8-methylphenazine-1- carboxamide
  • MW: 308.378 | Formula: C18H20N4O
  • H donors: 1 H acceptors: 3 LogP: 2.31 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(CCNC(=O)c1cccc2c1nc1cc(C)ccc1n2)C
  • InChi: 1S/C18H20N4O/c1-12-7-8-14-16(11-12)21-17-13(5-4-6-15(17)20-14)18(23)19-9-10-22(2)3/h4-8,11H,9-10H2,1-3H3,(H,19,23)
  • InChiKey: GVYNEQCOZRYYSD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(2-dimethylaminoethyl)-8-methyl-phenazine-1-carboxamide
  • N-(2-dimethylaminoethyl)-8-methyl-1-phenazinecarboxamide

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 brucei thymidine kinase 0.0489 0.5 0.5
Trypanosoma cruzi thymidine kinase, putative 0.0489 0.5 0.5
Trichomonas vaginalis thymidine kinase, putative 0.0489 0.5 0.5
Giardia lamblia Thymidine kinase 0.0489 0.5 0.5
Leishmania major thymidine kinase, putative 0.0489 0.5 0.5
Trypanosoma cruzi thymidine kinase, putative 0.0489 0.5 0.5
Trichomonas vaginalis thymidine kinase, putative 0.0489 0.5 0.5
Trichomonas vaginalis thymidine kinase, putative 0.0489 0.5 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 630 nM Nanomolar concentration required to reduce the growth of L1210 cells in culture to 50% of control values after 70 h (in vitro) ChEMBL. 3572972
IC50 (functional) = 630 nM Nanomolar concentration required to reduce the growth of L1210 cells in culture to 50% of control values after 70 h (in vitro) ChEMBL. 3572972
ILS max (functional) = 60 Average increase in life span of treated animals over control groups of tumor-bearing untreated animals when given at optimal dose (in vivo) ChEMBL. 3572972
ILS max (functional) = 81 Average increase in life span of treated animals over control groups of tumor-bearing untreated animals when given at optimal dose (in vivo) ChEMBL. 3572972
Log K (binding) = 6.43 Logarithm of association constant (K) for binding to DNA by ethidium displacement ChEMBL. 3572972
Log K (binding) = 6.82 Logarithm of association constant (K) for binding to DNA by ethidium displacement ChEMBL. 3572972
OD (functional) = 150 mg kg-1 day-1 Optimal dose in mg/kg administered intraperitoneally on days 1,5 and 9 required to inhibit the growth of P388 leukemia cells was determined (in vivo) ChEMBL. 3572972
OD (functional) = 150 mg kg-1 day-1 Optimal dose in mg/kg administered intraperitoneally on days 1,5 and 9 required to inhibit the growth of P388 leukemia cells was determined (in vivo) ChEMBL. 3572972
OD (functional) = 225 mg kg-1 day-1 Optimal dose required after intraperitoneal administration on days 5,9 and 13 to inhibit the growth of lewis lung carcinoma (LL) cells was determined (in vivo) ChEMBL. 3572972
Rm = -0.2 Lipophilicity (HPLC) ChEMBL. 3572972

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Mus musculus ChEMBL23 3572972

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

1 literature reference was collected for this gene.

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