Detailed information for compound 672403

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 408.834 | Formula: C22H17ClN2O4
  • H donors: 0 H acceptors: 4 LogP: 3.06 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: C/C(=C/CN1C(=O)C2C(C1=O)C1([N+](=O)[O-])c3c(C2c2c1cccc2)cccc3)/Cl
  • InChi: 1S/C22H17ClN2O4/c1-12(23)10-11-24-20(26)18-17-13-6-2-4-8-15(13)22(25(28)29,19(18)21(24)27)16-9-5-3-7-14(16)17/h2-10,17-19H,11H2,1H3/b12-10-
  • InChiKey: DZUGVVXEURRXCB-BENRWUELSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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 D-aminoacylase, putative 0.0037 0.0098 0.5
Loa Loa (eye worm) hypothetical protein 0.0037 0.0098 0.0198
Loa Loa (eye worm) hypothetical protein 0.0037 0.0098 0.0198
Brugia malayi beta-lactamase family protein 0.0037 0.0098 0.0198
Echinococcus granulosus acetylcholinesterase 0.0135 0.4962 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0098 0.0198
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.0595 0.12
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.0595 0.12
Echinococcus multilocularis expressed conserved protein 0.0112 0.3801 0.7613
Onchocerca volvulus 0.0037 0.0098 0.5
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0037 0.0098 0.0198
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0098 0.5
Brugia malayi Carboxylesterase family protein 0.0135 0.4962 1
Echinococcus granulosus carboxylesterase 5A 0.0135 0.4962 1
Loa Loa (eye worm) acetylcholinesterase 1 0.0135 0.4962 1
Echinococcus granulosus cGMP dependent protein kinase 1 0.0112 0.3801 0.7613
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0098 0.5
Brugia malayi Egg laying defective protein 4 0.0112 0.3801 0.766
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0595 0.1022
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0595 0.1022
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0098 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0595 0.1022
Brugia malayi beta-lactamase 0.0037 0.0098 0.0198
Echinococcus granulosus cGMP dependent protein kinase 1 0.0112 0.3801 0.7613
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0595 0.1022
Mycobacterium leprae conserved hypothetical protein 0.0037 0.0098 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.0805 0.1622
Loa Loa (eye worm) carboxylesterase 0.0135 0.4962 1
Trypanosoma brucei hypothetical protein, conserved 0.0037 0.0098 0.5
Loa Loa (eye worm) beta-lactamase 0.0037 0.0098 0.0198
Loa Loa (eye worm) hypothetical protein 0.0037 0.0098 0.0198
Loa Loa (eye worm) hypothetical protein 0.0037 0.0098 0.0198
Onchocerca volvulus 0.0037 0.0098 0.5
Loa Loa (eye worm) hypothetical protein 0.0037 0.0098 0.0198
Plasmodium falciparum cGMP-dependent protein kinase 0.0112 0.3801 0.5
Echinococcus multilocularis acetylcholinesterase 0.0135 0.4962 1
Mycobacterium leprae Probable lipase LipE 0.0037 0.0098 0.5
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0037 0.0098 0.0198
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0595 0.12
Echinococcus granulosus acetylcholinesterase 0.0135 0.4962 1
Schistosoma mansoni serine/threonine protein kinase 0.0112 0.3801 0.766
Schistosoma mansoni serine/threonine protein kinase 0.0112 0.3801 0.766
Brugia malayi beta-lactamase family protein 0.0037 0.0098 0.0198
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0595 0.12
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0098 0.5
Brugia malayi Carboxylesterase family protein 0.0135 0.4962 1
Loa Loa (eye worm) hypothetical protein 0.0135 0.4962 1
Plasmodium vivax hypothetical protein, conserved 0.0037 0.0098 0.5
Echinococcus multilocularis carboxylesterase 5A 0.0135 0.4962 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0135 0.4962 1
Leishmania major hypothetical protein, conserved 0.0037 0.0098 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0098 0.5
Toxoplasma gondii protein kinase G AGC kinase family member PKG 0.0112 0.3801 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.0805 0.1622
Trichomonas vaginalis esterase, putative 0.0037 0.0098 0.5
Loa Loa (eye worm) hypothetical protein 0.0135 0.4962 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.0805 0.1622
Loa Loa (eye worm) hypothetical protein 0.0037 0.0098 0.0198
Echinococcus multilocularis cGMP dependent protein kinase 1 0.0112 0.3801 0.7613
Mycobacterium ulcerans hypothetical protein 0.0111 0.3767 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0098 0.0198
Echinococcus granulosus cGMP dependent protein kinase 0.0112 0.3801 0.7613
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0098 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.0805 0.1622
Loa Loa (eye worm) AGC/PKG protein kinase 0.0112 0.3801 0.766
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0595 0.12
Echinococcus multilocularis cGMP dependent protein kinase 1 0.0112 0.3801 0.7613
Onchocerca volvulus 0.0037 0.0098 0.5
Echinococcus multilocularis acetylcholinesterase 0.0135 0.4962 1

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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