Detailed information for compound 277312

Basic information

Technical information
  • TDR Targets ID: 277312
  • Name: N-(2-dimethylaminoethyl)-9,10-dioxoanthracene -1-carboxamide
  • MW: 322.358 | Formula: C19H18N2O3
  • H donors: 1 H acceptors: 3 LogP: 2.18 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(CCNC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)C
  • InChi: 1S/C19H18N2O3/c1-21(2)11-10-20-19(24)15-9-5-8-14-16(15)18(23)13-7-4-3-6-12(13)17(14)22/h3-9H,10-11H2,1-2H3,(H,20,24)
  • InChiKey: ZAGSATOZMNXKMU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(2-dimethylaminoethyl)-9,10-dioxo-anthracene-1-carboxamide
  • N-(2-dimethylaminoethyl)-9,10-dioxo-1-anthracenecarboxamide
  • N-(2-dimethylaminoethyl)-9,10-diketo-anthracene-1-carboxamide
  • 112022-06-7
  • NCI60_007171
  • 1-Anthracenecarboxamide, 9,10-dihydro-N-(2-(dimethylamino)ethyl)-9,10-dioxo-
  • 9,10-Dihydro-N-(2-(dimethylamino)ethyl)-9,10-dioxo-1-anthracenecarboxamide
  • BRN 6486698
  • CCRIS 4464
  • N-(2-(Dimethylamino)ethyl)-9,10-dihydro-9,10-dioxo-1-anthracenecarboxamide

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 Hemopexin family protein 0.0086 0.2199 0.3834
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0088 0.2281 0.4845
Trichomonas vaginalis chromobox protein, putative 0.008 0.1886 1
Echinococcus multilocularis chromobox protein 1 0.008 0.1886 0.1922
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.011 0.3444 0.3628
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0134 0.4708 0.8299
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.0061 0.0867 0.1529
Loa Loa (eye worm) hypothetical protein 0.0061 0.0867 0.0867
Plasmodium falciparum peptide deformylase 0.023 0.9736 1
Loa Loa (eye worm) hypothetical protein 0.0058 0.0698 0.0698
Onchocerca volvulus 0.0086 0.2199 0.4588
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0074 0.1562 0.2704
Loa Loa (eye worm) hypothetical protein 0.0115 0.3726 0.3726
Onchocerca volvulus Matrilysin homolog 0.0135 0.4748 1
Brugia malayi Matrixin family protein 0.0061 0.0867 0.1471
Trypanosoma brucei Peptide deformylase 2 0.0088 0.2281 1
Schistosoma mansoni jumonji domain containing protein 0.0087 0.226 0.3983
Treponema pallidum polypeptide deformylase (def) 0.023 0.9736 0.5
Onchocerca volvulus Matrix metalloproteinase homolog 0.0135 0.4748 1
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.0038 0.0203
Trichomonas vaginalis chromobox protein, putative 0.0048 0.0217 0.1152
Onchocerca volvulus Matrilysin homolog 0.0061 0.0867 0.176
Loa Loa (eye worm) hypothetical protein 0.012 0.3955 0.3955
Trypanosoma cruzi Peptide deformylase 2, putative 0.0088 0.2281 0.4845
Brugia malayi Matrixin family protein 0.0061 0.0867 0.1471
Loa Loa (eye worm) hypothetical protein 0.0134 0.4708 0.4708
Brugia malayi cathepsin B-like cysteine proteinase 0.0134 0.4708 0.8288
Giardia lamblia Cathepsin B precursor 0.0044 0 0.5
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0134 0.4708 1
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0221 0.9265 1
Loa Loa (eye worm) hypothetical protein 0.0084 0.209 0.209
Schistosoma mansoni integrin alpha 0.0153 0.5673 1
Echinococcus granulosus chromobox protein 1 0.008 0.1886 0.1922
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0134 0.4708 0.8299
Loa Loa (eye worm) hypothetical protein 0.0061 0.0867 0.0867
Schistosoma mansoni hypothetical protein 0.0086 0.2199 0.3876
Chlamydia trachomatis peptide deformylase 0.023 0.9736 0.5
Echinococcus multilocularis cathepsin b 0.0134 0.4708 0.5011
Brugia malayi Heterochromatin protein 1 0.008 0.1886 0.328
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0048 0.0217 0.038
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0134 0.4708 0.8299
Brugia malayi Integrin alpha cytoplasmic region family protein 0.0115 0.3726 0.6545
Brugia malayi Matrixin family protein 0.0061 0.0867 0.1471
Echinococcus multilocularis integrin alpha ps 0.0068 0.1264 0.1241
Toxoplasma gondii aspartyl protease ASP3 0.0092 0.2484 0.2552
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0134 0.4708 0.8299
Leishmania major polypeptide deformylase-like protein, putative 0.0088 0.2281 1
Brugia malayi jmjC domain containing protein 0.011 0.3444 0.6045
Schistosoma mansoni cathepsin D (A01 family) 0.0105 0.3187 0.5618
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0088 0.2281 0.4845
Echinococcus granulosus integrin alpha 3 0.0117 0.3807 0.4025
Loa Loa (eye worm) heterochromatin protein 1 0.008 0.1886 0.1886
Toxoplasma gondii hypothetical protein 0.023 0.9736 1
Loa Loa (eye worm) matrixin family protein 0.0147 0.5385 0.5385
Wolbachia endosymbiont of Brugia malayi peptide deformylase 0.023 0.9736 0.5
Echinococcus granulosus cathepsin b 0.0134 0.4708 0.5011
Trichomonas vaginalis chromobox protein, putative 0.008 0.1886 1
Onchocerca volvulus 0.0061 0.0867 0.176
Echinococcus multilocularis integrin alpha 3 0.0117 0.3807 0.4025
Brugia malayi Integrin alpha pat-2 precursor 0.0153 0.5673 1
Giardia lamblia Cathepsin B precursor 0.0044 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0045 0.0038 0.0038
Brugia malayi Matrixin family protein 0.0061 0.0867 0.1471
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.0221 0.9265 1
Schistosoma mansoni chromobox protein 0.008 0.1886 0.3325
Schistosoma mansoni cathepsin D (A01 family) 0.0105 0.3187 0.5618
Trypanosoma brucei Polypeptide deformylase 1 0.0088 0.2281 1
Loa Loa (eye worm) hypothetical protein 0.0061 0.0867 0.0867
Loa Loa (eye worm) matrix metalloproteinase 0.0061 0.0867 0.0867
Schistosoma mansoni chromobox protein 0.008 0.1886 0.3325
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.0038 0.0203
Schistosoma mansoni integrin alpha-ps 0.0068 0.1264 0.2228
Mycobacterium leprae PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE) 0.023 0.9736 1
Echinococcus granulosus integrin alpha ps 0.0068 0.1264 0.1241
Loa Loa (eye worm) hypothetical protein 0.0074 0.1562 0.1562
Loa Loa (eye worm) matrixin family protein 0.0135 0.4748 0.4748
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.011 0.3444 0.3628
Echinococcus granulosus chromobox protein 1 0.008 0.1886 0.1922
Echinococcus multilocularis cathepsin b 0.0134 0.4708 0.5011
Brugia malayi Matrixin family protein 0.0147 0.5385 0.9489
Trypanosoma cruzi Peptide deformylase 2, putative 0.0088 0.2281 0.4845
Giardia lamblia Cathepsin B precursor 0.0044 0 0.5
Echinococcus multilocularis integrin alpha ps 0.0068 0.1264 0.1241
Echinococcus multilocularis chromobox protein 1 0.008 0.1886 0.1922
Trichomonas vaginalis chromobox protein, putative 0.0048 0.0217 0.1152
Echinococcus granulosus cathepsin b 0.0134 0.4708 0.5011
Plasmodium vivax peptide deformylase, putative 0.023 0.9736 1
Mycobacterium ulcerans peptide deformylase 0.023 0.9736 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0069 0.1314 0.1314
Mycobacterium tuberculosis Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase) 0.023 0.9736 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 4200 nM Concentration required to inhibit growth of murine leukemia (L1210) cells in culture ChEMBL. 3351846
IC50 (functional) = 4200 nM Concentration required to inhibit growth of murine leukemia (L1210) cells in culture ChEMBL. 3351846
ILS max (functional) 0 Percentage increase in lifespan of P388 tumor cell bearing animal compared to nontreated tumor bearing controls at given optimal dose; Not active ChEMBL. 3351846
Log K (binding) = 5.28 Binding constant for DNA by ethidium displacement ChEMBL. 3351846
Log K (binding) = 5.34 Binding constant for DNA by ethidium displacement ChEMBL. 3351846
OD (functional) = 100 mg kg-1 Optimal dose administered intraperitoneally after intraperitoneal inoculation of 10 e 6 P388 leukemia cells ChEMBL. 3351846
OD (functional) = 100 mg kg-1 Optimal dose administered intraperitoneally after intraperitoneal inoculation of 10 e 6 P388 leukemia cells ChEMBL. 3351846

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Mus musculus ChEMBL23 3351846

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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