Detailed information for compound 33819

Basic information

Technical information
  • TDR Targets ID: 33819
  • Name: 2-(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-i um-2-yl)-N,N-diethylethanamine
  • MW: 346.489 | Formula: C23H28N3+
  • H donors: 1 H acceptors: 0 LogP: 5.13 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN(CC[n+]1ccc2c(c1)c(C)c1c(c2C)[nH]c2c1cccc2)CC
  • InChi: 1S/C23H27N3/c1-5-25(6-2)13-14-26-12-11-18-17(4)23-22(16(3)20(18)15-26)19-9-7-8-10-21(19)24-23/h7-12,15H,5-6,13-14H2,1-4H3/p+1
  • InChiKey: YTUYANZCGUYXHF-UHFFFAOYSA-O  

Network

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Synonyms

  • 2-(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)-N,N-diethyl-ethanamine
  • 2-(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)ethyl-diethyl-amine
  • NCI60_003159
  • NCI60_003261
  • Neuro_000188
  • Neuro_000198

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 granulosus geminin 0.0179 0.0594 0.1282
Onchocerca volvulus 0.0025 0.0027 0.5
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.1067 0.3865 1
Mycobacterium leprae Probable dihydroorotate dehydrogenase PyrD 0.2732 1 1
Mycobacterium ulcerans hypothetical protein 0.0025 0.0027 0.0023
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0025 0.0027 0.0023
Trypanosoma brucei dihydroorotate dehydrogenase (fumarate) 0.2732 1 0.5
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0025 0.0027 0.0027
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0048 0.0113 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0025 0.0027 0.0023
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.1067 0.3865 0.5
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.1067 0.3865 1
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.1067 0.3865 1
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0025 0.0027 0.0023
Plasmodium falciparum dihydroorotate dehydrogenase 0.2732 1 1
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.1067 0.3865 0.5
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0027 0.0023
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.2732 1 1
Plasmodium vivax dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.2732 1 1
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0019 0.0004 0.5
Trichomonas vaginalis dihydropyrimidine dehydrogenase, putative 0.1067 0.3865 0.5
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0027 0.0023
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0025 0.0027 0.0023
Leishmania major dihydroorotate dehydrogenase 0.2732 1 1
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.1067 0.3865 0.5
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0027 0.0023
Trypanosoma cruzi dihydroorotate dehydrogenase (fumarate), putative 0.2732 1 1
Schistosoma mansoni dihydroorotate dehydrogenase 0.2732 1 1
Brugia malayi Dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.2732 1 1
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.2732 1 1
Toxoplasma gondii dihydroorotate dehydrogenase reveal, putative 0.2732 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0025 0.0027 0.2138
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0025 0.0027 0.0027
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.1067 0.3865 1
Brugia malayi Zinc finger, C2H2 type family protein 0.1067 0.3865 0.3848
Loa Loa (eye worm) hypothetical protein 0.0025 0.0027 0.2138
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.1067 0.3865 0.5
Mycobacterium ulcerans dihydroorotate dehydrogenase 2 0.2732 1 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0027 0.2138
Schistosoma mansoni hypothetical protein 0.0179 0.0594 0.0487
Echinococcus multilocularis geminin 0.0179 0.0594 0.1282
Mycobacterium tuberculosis Probable dihydroorotate dehydrogenase PyrD 0.2732 1 1
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.1067 0.3865 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0048 0.0113 0.0086
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0019 0.0004 0.0004
Wolbachia endosymbiont of Brugia malayi dihydroorotate dehydrogenase 2 0.2732 1 0.5
Schistosoma mansoni hypothetical protein 0.0179 0.0594 0.0487
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.1067 0.3865 0.5

Activities

Activity type Activity value Assay description Source Reference
C50 (binding) = 159 nM Concentration at which the fluorescence of an ethidium-DNA complex was reduced by 50% ChEMBL. 3806584
ID50 (functional) = 0.000000041 M Inhibitory effect of the compound against L1210 leukemia in tissue culture ChEMBL. 3806584
ID50 (functional) = 0.000000041 M Inhibitory effect of the compound against L1210 leukemia in tissue culture ChEMBL. 3806584
ID50 (functional) = 0.0000005 M Inhibitory effect of the compound against HCT8 Human colon adenocarcinoma ChEMBL. 3806584
ID50 (functional) = 0.0000005 M Inhibitory effect of the compound against HCT8 Human colon adenocarcinoma ChEMBL. 3806584

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

1 literature reference was collected for this gene.

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