Detailed information for compound 28386

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 260.073 | Formula: C10H7Cl2NO3
  • H donors: 2 H acceptors: 3 LogP: 2.71 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)/C(=C/C(=O)c1ccc(c(c1)Cl)Cl)/N
  • InChi: 1S/C10H7Cl2NO3/c11-6-2-1-5(3-7(6)12)9(14)4-8(13)10(15)16/h1-4H,13H2,(H,15,16)/b8-4-
  • InChiKey: ZSRWYPGHSHDYKN-YWEYNIOJSA-N  

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Kynurenine 3-monooxygenase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans potential monooxygenase similar to S. cerevisiae BNA4 (YBL098W) kynurenine 3-monooxygenase, biosynthesis of Nicotinic Acid Get druggable targets OG5_129812 All targets in OG5_129812
Candida albicans potential monooxygenase similar to S. cerevisiae BNA4 (YBL098W) kynurenine 3-monooxygenase, biosynthesis of Nicotinic Acid Get druggable targets OG5_129812 All targets in OG5_129812

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
Schistosoma mansoni ADAMTS5 peptidase (M12 family) 0.0287 0.0165 0.3123
Mycobacterium tuberculosis Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase) 0.9194 1 1
Schistosoma mansoni ADAM17 peptidase (M12 family) 0.0608 0.0519 1
Mycobacterium leprae PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE) 0.9194 1 1
Toxoplasma gondii hypothetical protein 0.9194 1 1
Echinococcus multilocularis Blood coagulation inhibitor, Disintegrin 0.0381 0.0269 0.4632
Loa Loa (eye worm) matrix metalloproteinase 0.0141 0.0004 0.0034
Mycobacterium ulcerans zinc metalloprotease 0.0186 0.0054 0.0015
Loa Loa (eye worm) hypothetical protein 0.0141 0.0004 0.0034
Trypanosoma cruzi Peptide deformylase 2, putative 0.3508 0.3722 0.5
Loa Loa (eye worm) matrixin family protein 0.0313 0.0194 0.1545
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.3508 0.3722 0.5
Brugia malayi Matrixin family protein 0.0342 0.0226 1
Mycobacterium leprae probable zinc metalloprotease 0.0186 0.0054 0.0015
Loa Loa (eye worm) matrixin family protein 0.0342 0.0226 0.1793
Echinococcus granulosus adam 17 protease 0.0668 0.0586 1
Plasmodium vivax peptide deformylase, putative 0.9194 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0141 0.0004 0.0028
Loa Loa (eye worm) hypothetical protein 0.0141 0.0004 0.0034
Leishmania major polypeptide deformylase-like protein, putative 0.3508 0.3722 0.5
Trypanosoma brucei Polypeptide deformylase 1 0.3508 0.3722 0.5
Brugia malayi Hypothetical zinc metalloproteinase T16A9.4 0.0186 0.0054 0.2228
Brugia malayi Peptidase family M13 containing protein 0.0186 0.0054 0.2228
Onchocerca volvulus Matrix metalloproteinase homolog 0.0313 0.0194 1
Trypanosoma brucei Peptide deformylase 2 0.3508 0.3722 0.5
Onchocerca volvulus Matrilysin homolog 0.0313 0.0194 1
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.0514 0.0416 0.6798
Loa Loa (eye worm) hypothetical protein 0.0141 0.0004 0.0034
Echinococcus granulosus Blood coagulation inhibitor Disintegrin 0.0381 0.0269 0.405
Echinococcus granulosus a disintegrin and metalloproteinase with 0.0287 0.0165 0.2094
Trypanosoma cruzi Peptide deformylase 2, putative 0.3508 0.3722 0.5
Echinococcus multilocularis a disintegrin and metalloproteinase with 0.0287 0.0165 0.2395
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0172 0.0038 0.1537
Treponema pallidum polypeptide deformylase (def) 0.9194 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0141 0.0004 0.0028
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.3508 0.3722 0.5
Mycobacterium ulcerans peptide deformylase 0.9194 1 1
Loa Loa (eye worm) hypothetical protein 0.1277 0.1258 1
Brugia malayi metalloprotease disintegrin 16 with thrombospondin type I motif 0.0287 0.0165 0.7268
Loa Loa (eye worm) hypothetical protein 0.0186 0.0054 0.0426
Mycobacterium tuberculosis Probable zinc metalloprotease Zmp1 0.0186 0.0054 0.0015
Loa Loa (eye worm) hypothetical protein 0.0141 0.0004 0.0028
Wolbachia endosymbiont of Brugia malayi peptide deformylase 0.9194 1 0.5
Brugia malayi Hemopexin family protein 0.02 0.007 0.2947
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0186 0.0054 0.0957
Mycobacterium tuberculosis Possible exported protein 0.1515 0.152 0.1488
Schistosoma mansoni hypothetical protein 0.02 0.007 0.1266
Loa Loa (eye worm) hypothetical protein 0.0186 0.0054 0.0426
Loa Loa (eye worm) hypothetical protein 0.0141 0.0004 0.0028
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0514 0.0416 0.7775
Plasmodium falciparum peptide deformylase 0.9194 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0186 0.0054 0.0426
Onchocerca volvulus 0.02 0.007 0.3431
Echinococcus multilocularis adam 17 protease 0.0608 0.0519 1
Loa Loa (eye worm) hypothetical protein 0.0141 0.0004 0.0028
Loa Loa (eye worm) hypothetical protein 0.0172 0.0038 0.0304
Loa Loa (eye worm) hypothetical protein 0.0141 0.0004 0.0028

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 1 uM Inhibition of Kynurenine-3-hydroxylase enzyme isolated from the rat liver ChEMBL. 10633043
IC50 (binding) = 1 uM Inhibition of Kynurenine-3-hydroxylase enzyme isolated from the rat liver ChEMBL. 10633043

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

No external resources registered 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.