Detailed information for compound 1590805

Basic information

Technical information
  • TDR Targets ID: 1590805
  • Name: 3-aminonaphthalene-2-carboxylic acid
  • MW: 187.195 | Formula: C11H9NO2
  • H donors: 2 H acceptors: 2 LogP: 2.57 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)c1cc2ccccc2cc1N
  • InChi: 1S/C11H9NO2/c12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14/h1-6H,12H2,(H,13,14)
  • InChiKey: XFXOLBNQYFRSLQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-Amino-2-naphthalenecarboxylic acid
  • 3-Amino-2-naphthoic acid
  • 5959-52-4
  • NSC37061
  • WLN: L66J CZ DVQ
  • 3-Aminoisonaphthoic acid
  • Oprea1_749540
  • 08660_FLUKA
  • SBB003690
  • BRN 0744099
  • AO-801/41077418
  • EINECS 227-726-2
  • AIDS-020038
  • NSC 37061
  • AIDS020038
  • A66804_ALDRICH
  • 3-14-00-01341 (Beilstein Handbook Reference)
  • 2-Amino-3-carboxynaphthalene
  • 2-Amino-3-naphthoic acid
  • 2-Naphthalenecarboxylic acid, 3-amino-
  • 2-Naphthoic acid, 3-amino-

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens indoleamine 2,3-dioxygenase 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) indoleamine 2,3-dioxygenase Get druggable targets OG5_130288 All targets in OG5_130288
Candida albicans similar to indoleamine 2,3-dioxygenases Get druggable targets OG5_130288 All targets in OG5_130288
Candida albicans similar to indoleamine 2,3-dioxygenases Get druggable targets OG5_130288 All targets in OG5_130288
Echinococcus multilocularis indoleamine 2,3 dioxygenase 2 Get druggable targets OG5_130288 All targets in OG5_130288
Echinococcus granulosus indoleamine 23 dioxygenase 2 Get druggable targets OG5_130288 All targets in OG5_130288
Brugia malayi indoleamine 2,3-dioxygenase Get druggable targets OG5_130288 All targets in OG5_130288
Schistosoma japonicum ko:K00463 indoleamine 2,3-dioxygenase, putative Get druggable targets OG5_130288 All targets in OG5_130288
Schistosoma mansoni hypothetical protein Get druggable targets OG5_130288 All targets in OG5_130288
Schistosoma mansoni hypothetical protein Get druggable targets OG5_130288 All targets in OG5_130288
Schistosoma japonicum IPR000898,Indoleamine 2,3-dioxygenase,domain-containing Get druggable targets OG5_130288 All targets in OG5_130288
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 Cytochrome P450 family protein 0.002 0.0187 0.015
Trichomonas vaginalis conserved hypothetical protein 0.0007 0 0.5
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0011 0.006 0.005
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0011 0.006 0.005
Schistosoma mansoni cytochrome P450 0.002 0.0187 0.0177
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0007 0 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0062 0.0826 0.0792
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0012 0.008 0.007
Schistosoma mansoni hypothetical protein 0.004 0.0494 0.0484
Trypanosoma cruzi cytochrome P450, putative 0.0029 0.0334 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.004 0.0029
Brugia malayi hypothetical protein 0.0018 0.0164 0.0126
Entamoeba histolytica hypothetical protein 0.004 0.0494 0.5
Schistosoma mansoni hypothetical protein 0.0012 0.008 0.007
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0011 0.006 0.005
Trichomonas vaginalis conserved hypothetical protein 0.0007 0 0.5
Mycobacterium ulcerans aldehyde dehydrogenase 0.0067 0.0908 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.006 0.0022
Schistosoma mansoni cpg binding protein 0.0032 0.0372 0.0362
Brugia malayi Cytochrome P450 family protein 0.0062 0.0826 0.0791
Loa Loa (eye worm) hypothetical protein 0.0011 0.006 0.0023
Trichomonas vaginalis conserved hypothetical protein 0.0007 0 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.006 0.0022
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0011 0.006 0.0022
Trichomonas vaginalis conserved hypothetical protein 0.0007 0 0.5
Mycobacterium leprae Conserved hypothetical protein 0.002 0.0187 0.5
Echinococcus granulosus FTZ F1 alpha 0.0011 0.006 0.005
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0 0.5
Trypanosoma cruzi cytochrome P450, putative 0.0029 0.0334 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0011 0.006 0.0023
Echinococcus multilocularis thyroid hormone receptor alpha 0.0011 0.006 0.005
Trypanosoma brucei cytochrome P450, putative 0.0029 0.0334 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.004 0.0494 0.0484
Trichomonas vaginalis helicase, putative 0.0007 0 0.5
Leishmania major hypothetical protein, conserved 0.0028 0.0313 0.1746
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0011 0.006 0.0023
Trichomonas vaginalis conserved hypothetical protein 0.0007 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0011 0.006 0.0023
Plasmodium vivax ataxin-2 like protein, putative 0.0028 0.0313 0.5
Mycobacterium ulcerans aldehyde dehydrogenase 0.0067 0.0908 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0067 0.0908 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0313 0.0276
Trichomonas vaginalis conserved hypothetical protein 0.0007 0 0.5
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0011 0.006 0.005
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0011 0.006 0.0023
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0 0.5
Echinococcus multilocularis cpg binding protein 0.0034 0.0399 0.0389
Loa Loa (eye worm) hypothetical protein 0.0011 0.006 0.0023
Loa Loa (eye worm) hypothetical protein 0.0011 0.006 0.0023
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0011 0.006 0.005
Entamoeba histolytica hypothetical protein 0.004 0.0494 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0029 0.0334 0.0297
Echinococcus multilocularis dnaJ subfamily B 0.0452 0.674 0.6737
Schistosoma mansoni hypothetical protein 0.0667 1 1
Brugia malayi Cytochrome P450 family protein 0.0029 0.0334 0.0297
Loa Loa (eye worm) indoleamine 2,3-dioxygenase 0.0667 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0007 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.006 0.0022
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0011 0.006 0.005
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0011 0.006 0.0022
Schistosoma mansoni RAR-like nuclear receptor 0.0011 0.006 0.005
Schistosoma mansoni aldehyde dehydrogenase 0.0067 0.0908 0.0898
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.006 0.005
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0011 0.006 0.005
Schistosoma mansoni transcription factor LCR-F1 0.004 0.0494 0.0484
Onchocerca volvulus 0.0032 0.0372 1
Trichomonas vaginalis conserved hypothetical protein 0.0007 0 0.5
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0029 0.0334 0.2036
Echinococcus granulosus dnaJ subfamily B 0.0452 0.674 0.6737
Loa Loa (eye worm) hypothetical protein 0.0011 0.006 0.0023
Brugia malayi cytochrome P450 0.002 0.0187 0.015
Brugia malayi nuclear hormone receptor 0.0011 0.006 0.0022
Brugia malayi photoreceptor-specific nuclear receptor 0.0011 0.006 0.0022
Toxoplasma gondii histone lysine methyltransferase SET1 0.006 0.0802 0.8533
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0011 0.006 0.005
Entamoeba histolytica hypothetical protein 0.004 0.0494 0.5
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.004 0.0029
Toxoplasma gondii LsmAD domain-containing protein 0.0028 0.0313 0.1746
Schistosoma mansoni coup transcription factor 0.0011 0.006 0.005
Brugia malayi ecdysteroid receptor 0.0011 0.006 0.0022
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0067 0.0908 1
Loa Loa (eye worm) cytochrome P450 0.002 0.0187 0.015
Loa Loa (eye worm) histone methyltransferase 0.001 0.004 0.0002
Toxoplasma gondii aldehyde dehydrogenase 0.0067 0.0908 1
Echinococcus multilocularis indoleamine 2,3 dioxygenase 2 0.0667 1 1
Schistosoma mansoni cpg binding protein 0.0034 0.0399 0.0389
Loa Loa (eye worm) CXXC zinc finger family protein 0.0032 0.0372 0.0335
Loa Loa (eye worm) cytochrome P450 family protein 0.0029 0.0334 0.0297
Loa Loa (eye worm) steroid hormone receptor 0.0011 0.006 0.0023
Schistosoma mansoni hypothetical protein 0.0667 1 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.006 0.0023
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0011 0.006 0.005
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.004 0.0494 0.0484
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.006 0.0022
Echinococcus granulosus cytochrome P450 2K1 0.002 0.0187 0.0177
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0 0.5
Entamoeba histolytica hypothetical protein 0.004 0.0494 0.5
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0011 0.006 0.0022
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.006 0.005
Schistosoma mansoni thyroid hormone receptor 0.0011 0.006 0.005
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0007 0 0.5
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0067 0.0911 0.0902
Schistosoma mansoni cpg binding protein 0.0034 0.0399 0.0389
Loa Loa (eye worm) CYP4Cod1 0.0029 0.0334 0.0297
Brugia malayi hypothetical protein 0.0028 0.0313 0.0276
Trichomonas vaginalis conserved hypothetical protein 0.0007 0 0.5
Schistosoma mansoni hypothetical protein 0.002 0.0187 0.0177
Echinococcus multilocularis FTZ F1 alpha 0.0011 0.006 0.005
Echinococcus multilocularis 0.002 0.0187 0.0177
Schistosoma mansoni retinoic acid receptor RXR 0.0011 0.006 0.005
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0 0.5
Brugia malayi steroid hormone receptor 0.0011 0.006 0.0022
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0011 0.006 0.0022
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0011 0.006 0.0023
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0011 0.006 0.0023
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0067 0.0908 0.0898
Schistosoma mansoni nuclear hormone receptor 0.0011 0.006 0.005
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0313 0.8574
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0011 0.006 0.0022
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.006 0.005
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0011 0.006 0.0023
Leishmania major cytochrome p450-like protein 0.0029 0.0334 0.2036
Loa Loa (eye worm) hypothetical protein 0.0011 0.006 0.0023
Schistosoma mansoni hypothetical protein 0.0452 0.674 0.6737
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0313 0.8574
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0011 0.006 0.005
Brugia malayi hypothetical protein 0.004 0.0494 0.0457
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.006 0.005
Echinococcus granulosus indoleamine 23 dioxygenase 2 0.0667 1 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0011 0.006 0.005
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.006 0.0022
Brugia malayi CXXC zinc finger family protein 0.0032 0.0372 0.0335
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0011 0.006 0.0022
Schistosoma mansoni steroid hormone receptor ad4bp 0.0011 0.006 0.005
Loa Loa (eye worm) hypothetical protein 0.0011 0.006 0.0023
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0012 0.008 0.007
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0011 0.006 0.0023
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0011 0.006 0.005
Schistosoma mansoni aldehyde dehydrogenase 0.0067 0.0908 0.0898
Echinococcus granulosus cpg binding protein 0.0034 0.0399 0.0389
Trypanosoma brucei PAB1-binding protein , putative 0.0028 0.0313 0.8574
Brugia malayi nuclear receptor NHR-88 0.0011 0.006 0.0022
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0011 0.006 0.0022
Mycobacterium leprae putative cytochrome p450 0.002 0.0187 0.5
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0011 0.006 0.005
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0011 0.006 0.005
Schistosoma mansoni thyroid hormone receptor 0.0011 0.006 0.005
Brugia malayi Steroid receptor seven-up type 2 0.0011 0.006 0.0022
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.006 0.0022
Brugia malayi Cytochrome P450 family protein 0.0029 0.0334 0.0297
Echinococcus multilocularis ecdysone induced protein 78C 0.0011 0.006 0.005
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0067 0.0908 0.0898
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.006 0.0022
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0313 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0313 0.5
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0 0.5
Echinococcus granulosus ecdysone induced protein 78C 0.0011 0.006 0.005
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0067 0.0908 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0011 0.006 0.005

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 15 uM Inhibition of His-tagged recombinant human IDO1 expressed in Escherichia coli using tryptophan as substrate by spectrophotometric analysis ChEMBL. 22112538
Inhibition (binding) = 74 % Inhibition of His-tagged recombinant human IDO1 expressed in Escherichia coli using tryptophan as substrate at 100 uM by spectrophotometric analysis ChEMBL. 22112538

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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