Detailed information for compound 906845

Basic information

Technical information
  • TDR Targets ID: 906845
  • Name: 2-(2-chloro-5-nitrophenyl)-4-[(3-methoxypheny l)methylidene]-1,3-oxazol-5-one
  • MW: 358.733 | Formula: C17H11ClN2O5
  • H donors: 0 H acceptors: 3 LogP: 3.99 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc(c1)C=C1N=C(OC1=O)c1cc(ccc1Cl)[N+](=O)[O-]
  • InChi: 1S/C17H11ClN2O5/c1-24-12-4-2-3-10(7-12)8-15-17(21)25-16(19-15)13-9-11(20(22)23)5-6-14(13)18/h2-9H,1H3/b15-8-
  • InChiKey: HDFPIJUMONVLGG-NVNXTCNLSA-N  

Network

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Synonyms

  • (4Z)-2-(2-chloro-5-nitrophenyl)-4-[(3-methoxyphenyl)methylidene]-1,3-oxazol-5-one
  • 2-(2-chloro-5-nitro-phenyl)-4-[(3-methoxyphenyl)methylene]oxazol-5-one
  • (4Z)-2-(2-chloro-5-nitro-phenyl)-4-[(3-methoxyphenyl)methylene]oxazol-5-one
  • (4Z)-2-(2-chloro-5-nitrophenyl)-4-[(3-methoxyphenyl)methylene]-5-oxazolone
  • 2-(2-chloro-5-nitrophenyl)-4-[(3-methoxyphenyl)methylene]-5-oxazolone
  • (4Z)-2-(2-chloro-5-nitro-phenyl)-4-(3-methoxybenzylidene)oxazol-5-one
  • 2-(2-chloro-5-nitro-phenyl)-4-(3-methoxybenzylidene)oxazol-5-one
  • 2-(2-chloro-5-nitro-phenyl)-4-[(3-methoxyphenyl)methylidene]-1,3-oxazol-5-one
  • (4Z)-2-(2-chloro-5-nitro-phenyl)-4-[(3-methoxyphenyl)methylidene]-1,3-oxazol-5-one
  • A1015/0047519
  • ZINC01104425

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 lysine specific histone demethylase 1A 0.0095 0.001 0.0013
Plasmodium falciparum protoporphyrinogen oxidase 0.0095 0.001 0.5
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0504 0.3252 0.3511
Echinococcus multilocularis thyroid hormone receptor alpha 0.1142 0.8312 1
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0095 0.001 0.5
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.1355 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.0286 0.1525 0.8123
Leishmania major UDP-galactopyranose mutase 0.0095 0.001 0.5
Chlamydia trachomatis protoporphyrinogen oxidase 0.0095 0.001 0.5
Loa Loa (eye worm) hypothetical protein 0.0095 0.001 0.0065
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0095 0.001 0.5
Toxoplasma gondii histone lysine-specific demethylase 0.0095 0.001 0.5
Trypanosoma cruzi UDP-galactopyranose mutase 0.0095 0.001 0.5
Echinococcus granulosus lysine specific histone demethylase 1A 0.0095 0.001 0.0013
Plasmodium vivax hypothetical protein, conserved 0.0095 0.001 0.5
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0095 0.001 0.0012
Loa Loa (eye worm) hypothetical protein 0.0095 0.001 0.0065
Loa Loa (eye worm) hypothetical protein 0.0095 0.001 0.0065
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0095 0.001 0.5
Schistosoma mansoni thyroid hormone receptor 0.1142 0.8312 1
Plasmodium vivax hypothetical protein, conserved 0.0095 0.001 0.5
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0095 0.001 0.0012
Brugia malayi SWIRM domain containing protein 0.0095 0.001 0.0053
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0286 0.1525 1
Brugia malayi hypothetical protein 0.0095 0.001 0.0053
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0095 0.001 0.5
Brugia malayi amine oxidase, flavin-containing family protein 0.0095 0.001 0.0053
Loa Loa (eye worm) hypothetical protein 0.0095 0.001 0.0065
Loa Loa (eye worm) hypothetical protein 0.0281 0.1483 0.9723
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0095 0.001 0.5
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.1048 0.7566 1
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0095 0.001 0.5
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.1048 0.7566 0.9101
Mycobacterium ulcerans bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ACP synthetase 0.0504 0.3252 0.3245
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0095 0.001 0.0012
Schistosoma mansoni thyroid hormone receptor 0.1142 0.8312 1
Trypanosoma cruzi UDP-galactopyranose mutase 0.0095 0.001 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.0286 0.1525 0.8123
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.1259 0.9243 1
Loa Loa (eye worm) hypothetical protein 0.0095 0.001 0.0065
Schistosoma mansoni hypothetical protein 0.1048 0.7566 0.9101
Schistosoma mansoni amine oxidase 0.0095 0.001 0.0012
Onchocerca volvulus 0.0095 0.001 1
Echinococcus multilocularis protoporphyrinogen oxidase 0.0095 0.001 0.0012
Brugia malayi Nuclear hormone receptor-like 1 0.0331 0.1877 1
Loa Loa (eye worm) hypothetical protein 0.0095 0.001 0.0065
Echinococcus multilocularis 0.0095 0.001 0.0012
Schistosoma mansoni amine oxidase 0.0095 0.001 0.0012

Activities

No activities found for this compound.

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

No literature references available for this target.

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