Detailed information for compound 606158

Basic information

Technical information
  • TDR Targets ID: 606158
  • Name: 2-methoxyacridin-9-amine
  • MW: 224.258 | Formula: C14H12N2O
  • H donors: 1 H acceptors: 1 LogP: 2.82 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc2c(c1)c(N)c1c(n2)cccc1
  • InChi: 1S/C14H12N2O/c1-17-9-6-7-13-11(8-9)14(15)10-4-2-3-5-12(10)16-13/h2-8H,1H3,(H2,15,16)
  • InChiKey: MPQHRPVQJUEINF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-methoxy-9-acridinamine
  • (2-methoxyacridin-9-yl)amine
  • 3407-99-6
  • 5-22-12-00222 (Beilstein Handbook Reference)
  • 5-Amino-3-methoxyacridine (European)
  • 9-Acridinamine, 2-methoxy- (9CI)
  • ACRIDINE, 9-AMINO-2-METHOXY-
  • BRN 0196940
  • NSC 130105
  • 5-Amino-3-methoxyacridine
  • 9-Acridinamine, 2-methoxy-
  • NSC130105
  • WLN: T C666 BNJ EO1 IZ
  • SR-01000638591-1

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
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.4317 0.2714
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0017 0 0.5
Brugia malayi AMP-binding enzyme family protein 0.0026 0.1468 0.1468
Loa Loa (eye worm) hypothetical protein 0.0026 0.1468 0.1468
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0042 0.4317 0.8381
Trichomonas vaginalis chromobox protein, putative 0.0075 1 1
Entamoeba histolytica hypothetical protein 0.0039 0.3746 1
Trichomonas vaginalis chromobox protein, putative 0.0045 0.4867 0.3419
Onchocerca volvulus 0.0033 0.2751 0.3773
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0039 0.3746 0.3746
Schistosoma mansoni transcription factor LCR-F1 0.0039 0.3746 0.3746
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0019 0.0356 0.2422
Trichomonas vaginalis chromobox protein, putative 0.0075 1 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.1468 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0356 0.0356
Plasmodium vivax acyl-CoA synthetase, putative 0.0019 0.0356 1
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0019 0.0356 0.5
Schistosoma mansoni chromobox protein 0.0075 1 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.4317 0.4317
Brugia malayi chromobox protein homolog 3 0.0042 0.4317 0.4317
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.4317 0.2714
Entamoeba histolytica hypothetical protein 0.0039 0.3746 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.1468 1
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0017 0 0.5
Schistosoma mansoni chromobox protein 0.0075 1 1
Echinococcus granulosus chromobox protein 1 0.0075 1 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.0176 0.1199
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.1468 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0356 0.0356
Brugia malayi hypothetical protein 0.0039 0.3746 0.3746
Schistosoma mansoni hypothetical protein 0.0039 0.3746 0.3746
Trichomonas vaginalis chromobox protein, putative 0.0045 0.4867 0.3419
Brugia malayi AMP-binding enzyme family protein 0.0026 0.1468 0.1468
Loa Loa (eye worm) hypothetical protein 0.0026 0.1468 0.1468
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0026 0.1468 0.5
Echinococcus granulosus chromobox protein 1 0.0075 1 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0039 0.3746 0.3746
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0026 0.1468 1
Brugia malayi AMP-binding enzyme family protein 0.0026 0.1468 0.1468
Loa Loa (eye worm) hypothetical protein 0.0019 0.0356 0.0356
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.0176 0.1199
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.0176 0.1199
Plasmodium falciparum acyl-CoA synthetase 0.0019 0.0356 1
Echinococcus multilocularis chromobox protein 1 0.0075 1 1
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0026 0.1468 1
Toxoplasma gondii isocitrate dehydrogenase 0.0017 0 0.5
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.0176 0.1199
Toxoplasma gondii isocitrate dehydrogenase 0.0017 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0033 0.2751 0.2751
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0026 0.1468 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0026 0.1468 0.5
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0017 0 0.5
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0026 0.1468 1
Loa Loa (eye worm) heterochromatin protein 1 0.0075 1 1
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0045 0.4867 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.1468 1
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0026 0.1468 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.1468 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.1468 1
Entamoeba histolytica hypothetical protein 0.0039 0.3746 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0356 0.0356
Loa Loa (eye worm) hypothetical protein 0.0019 0.0356 0.0356
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0026 0.1468 1
Echinococcus multilocularis chromobox protein 1 0.0075 1 1
Entamoeba histolytica hypothetical protein 0.0039 0.3746 1
Mycobacterium ulcerans hypothetical protein 0.0026 0.1468 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.1468 0.1468
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0017 0 0.5

Activities

Activity type Activity value Assay description Source Reference
CC50 (functional) = 5.72 uM Huh7 cytotoxicity for Pf inhibitors Novartis-GNF Malaria Box. No reference
CC50 = 5.72 uM NOVARTIS: Cytotoxicity against human hepatocellular carcinoma cell line (Huh7) ChEMBL. 18579783
EC50 (functional) = 0.133 uM PF proliferation inhibition 3D7 Novartis-GNF Malaria Box. No reference
EC50 (functional) = 0.133 uM NOVARTIS: Inhibition of Plasmodium falciparum 3D7 (drug-susceptible) proliferation in erythrocyte-based infection assay ChEMBL. 18579783
EC50 (functional) = 0.1756 uM W2 Pf proliferation inhibition Novartis-GNF Malaria Box. No reference
EC50 (functional) = 0.1756 uM NOVARTIS: Inhibition of Plasmodium falciparum W2 (drug-resistant) proliferation in erythrocyte-based infection assay ChEMBL. 18579783
IFI promiscuity index = 0.0099 IFI promiscuity index Novartis-GNF Malaria Box. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23 18579783

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.