Detailed information for compound 409880

Basic information

Technical information
  • TDR Targets ID: 409880
  • Name: (2S)-2-amino-N-hydroxy-3-(4-hydroxy-3,5-diiod ophenyl)propanamide
  • MW: 447.996 | Formula: C9H10I2N2O3
  • H donors: 4 H acceptors: 3 LogP: 1.08 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: ONC(=O)[C@H](Cc1cc(I)c(c(c1)I)O)N
  • InChi: 1S/C9H10I2N2O3/c10-5-1-4(2-6(11)8(5)14)3-7(12)9(15)13-16/h1-2,7,14,16H,3,12H2,(H,13,15)/t7-/m0/s1
  • InChiKey: YEJAVIRJCNETBI-ZETCQYMHSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (2S)-2-amino-3-(4-hydroxy-3,5-diiodo-phenyl)propanehydroxamic acid
  • (2S)-2-amino-3-(4-hydroxy-3,5-diiodophenyl)propanehydroxamic acid
  • (2S)-2-azanyl-N-hydroxy-3-(4-hydroxy-3,5-diiodo-phenyl)propanamide
  • (2S)-2-amino-N-hydroxy-3-(4-hydroxy-3,5-diiodo-phenyl)propanamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens c-src tyrosine kinase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) TK/CSK protein kinase Get druggable targets OG5_133402 All targets in OG5_133402
Echinococcus granulosus tyrosine protein kinase csk Get druggable targets OG5_133402 All targets in OG5_133402
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_133402 All targets in OG5_133402
Echinococcus multilocularis tyrosine protein kinase csk Get druggable targets OG5_133402 All targets in OG5_133402
Echinococcus granulosus c src tyrosine kinase Get druggable targets OG5_133402 All targets in OG5_133402
Loa Loa (eye worm) SH2 domain-containing protein Get druggable targets OG5_133402 All targets in OG5_133402
Schistosoma japonicum Tyrosine-protein kinase CSK, putative Get druggable targets OG5_133402 All targets in OG5_133402
Echinococcus multilocularis c src tyrosine kinase Get druggable targets OG5_133402 All targets in OG5_133402
Brugia malayi SH2 domain containing protein Get druggable targets OG5_133402 All targets in OG5_133402
Onchocerca volvulus Get druggable targets OG5_133402 All targets in OG5_133402
Echinococcus granulosus tyrosine protein kinase csk Get druggable targets OG5_133402 All targets in OG5_133402
Echinococcus multilocularis tyrosine protein kinase csk Get druggable targets OG5_133402 All targets in OG5_133402
Echinococcus multilocularis tyrosine protein kinase csk Get druggable targets OG5_133402 All targets in OG5_133402
Echinococcus granulosus tyrosine protein kinase csk Get druggable targets OG5_133402 All targets in OG5_133402
Echinococcus multilocularis tyrosine protein kinase csk Get druggable targets OG5_133402 All targets in OG5_133402
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 multilocularis DNA polymerase alpha catalytic subunit 0.0407 0.163 0.4412
Entamoeba histolytica DNA repair and recombination protein, putative 0.0861 0.3694 1
Trypanosoma cruzi DNA polymerase epsilon catalytic subunit, putative 0.0112 0.0291 0.0284
Schistosoma mansoni hypothetical protein 0.0861 0.3694 1
Echinococcus multilocularis dna polymerase epsilon catalytic subunit a 0.0112 0.0291 0.0787
Schistosoma mansoni DNA polymerase delta catalytic subunit 0.0112 0.0291 0.0787
Trichomonas vaginalis conserved hypothetical protein 0.0861 0.3694 1
Plasmodium vivax DNA polymerase alpha, putative 0.033 0.128 1
Loa Loa (eye worm) DNA-directed DNA polymerase III 0.0112 0.0291 0.1225
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0385 0.1531 0.1525
Entamoeba histolytica hypothetical protein, conserved 0.0861 0.3694 1
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0316 0.1217 0.1211
Giardia lamblia Rrm3p helicase 0.0861 0.3694 1
Entamoeba histolytica DNA polymerase delta catalytic subunit, putative 0.0112 0.0291 0.077
Trypanosoma brucei DNA polymerase alpha catalytic subunit 0.0178 0.0587 0.0305
Trichomonas vaginalis DNA polymerase zeta catalytic subunit, putative 0.0112 0.0291 0.077
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.1064 0.4617 0.4613
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0316 0.1217 0.0954
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0861 0.3694 0.3689
Trichomonas vaginalis DNA polymerase alpha catalytic subunit, putative 0.0112 0.0291 0.077
Leishmania major DNA polymerase epsilon catalytic subunit, putative 0.0112 0.0291 0.0284
Toxoplasma gondii DNA polymerase 0.0112 0.0291 0.1997
Echinococcus granulosus dna polymerase epsilon catalytic subunit a 0.0112 0.0291 0.0787
Echinococcus multilocularis DNA polymerase delta catalytic subunit 0.0112 0.0291 0.0787
Loa Loa (eye worm) hypothetical protein 0.0062 0.0063 0.0243
Loa Loa (eye worm) DNA polymerase epsilon catalytic subunit 0.0062 0.0063 0.0243
Trypanosoma brucei mitochondrial DNA polymerase beta 0.2249 1 1
Onchocerca volvulus DNA polymerase alpha catalytic subunit homolog 0.056 0.2322 1
Trichomonas vaginalis DNA polymerase alpha catalytic subunit, putative 0.0062 0.0063 0.0153
Toxoplasma gondii hypothetical protein 0.0363 0.1428 1
Schistosoma mansoni DNA polymerase alpha catalytic subunit 0.0407 0.163 0.4412
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0861 0.3694 0.3689
Trichomonas vaginalis DNA polymerase delta catalytic subunit, putative 0.0112 0.0291 0.077
Giardia lamblia DNA polymerase alpha subunit A 0.0345 0.1346 0.3101
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0316 0.1217 0.1211
Echinococcus multilocularis ATP dependent DNA helicase PIF1 0.0861 0.3694 1
Trypanosoma cruzi DNA polymerase epsilon catalytic subunit, putative 0.0112 0.0291 0.0284
Echinococcus granulosus DNA polymerase alpha catalytic subunit 0.0407 0.163 0.4412
Echinococcus granulosus DNA polymerase zeta catalytic subunit 0.0112 0.0291 0.0787
Trichomonas vaginalis DNA polymerase alpha catalytic subunit, putative 0.0178 0.0587 0.1574
Schistosoma mansoni DNA polymerase zeta catalytic subunit 0.0112 0.0291 0.0787
Schistosoma mansoni DNA polymerase alpha catalytic subunit 0.0152 0.0472 0.1279
Loa Loa (eye worm) hypothetical protein 0.0062 0.0063 0.0243
Schistosoma mansoni DNA polymerase epsilon catalytic subunit 0.0112 0.0291 0.0787
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.2249 1 1
Echinococcus granulosus DNA polymerase delta catalytic subunit 0.0112 0.0291 0.0787
Loa Loa (eye worm) hypothetical protein 0.056 0.2322 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.2249 1 1
Echinococcus multilocularis DNA polymerase zeta catalytic subunit 0.0112 0.0291 0.0787
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.1064 0.4617 0.4455
Mycobacterium tuberculosis Conserved hypothetical protein 0.1185 0.5163 0.5
Plasmodium falciparum DNA polymerase delta catalytic subunit 0.0112 0.0291 0.9569
Plasmodium falciparum DNA polymerase alpha catalytic subunit A 0.0115 0.0304 1
Plasmodium falciparum DNA polymerase epsilon catalytic subunit A, putative 0.0062 0.0063 0.19
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0861 0.3694 0.3689
Leishmania major DNA polymerase I alpha catalytic subunit, putative 0.0178 0.0587 0.0581
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0316 0.1217 0.1211
Entamoeba histolytica DNA polymerase alpha catalytic subunit, putative 0.0115 0.0304 0.0804
Trypanosoma cruzi DNA polymerase I alpha catalytic subunit, putative 0.0178 0.0587 0.0581
Toxoplasma gondii DNA polymerase family B protein 0.0112 0.0291 0.1997
Trichomonas vaginalis DNA polymerase II, putative 0.0178 0.0587 0.1574
Trypanosoma brucei DNA repair and recombination helicase protein PIF6 0.0861 0.3694 0.3505
Trypanosoma brucei DNA repair and recombination helicase protein PIF7 0.0861 0.3694 0.3505
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0861 0.3694 0.3689
Trypanosoma cruzi DNA polymerase delta catalytic subunit, putative 0.0112 0.0291 0.0284
Brugia malayi DNA polymerase alpha catalytic subunit 0.033 0.128 1
Echinococcus granulosus ATP dependent DNA helicase PIF1 0.0861 0.3694 1
Leishmania major DNA polymerase delta catalytic subunit, putative 0.0112 0.0291 0.0284
Trypanosoma cruzi DNA repair and recombination helicase protein PIF6, putative 0.0861 0.3694 0.3689
Mycobacterium ulcerans hypothetical protein 0.1185 0.5163 0.5
Toxoplasma gondii DNA polymerase (pol2) superfamily protein 0.033 0.128 0.896
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.1064 0.4617 0.4613

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 3.4 uM Inhibition of CSK measured as poly-E4Y phosphorylation by acid precipitation assay in presence of 0.2 mM CoCl2 ChEMBL. 17149882
IC50 (functional) = 3.4 uM Inhibition of CSK measured as poly-E4Y phosphorylation by acid precipitation assay in presence of 0.2 mM CoCl2 ChEMBL. 17149882

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.

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