Detailed information for compound 1818269

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 392.233 | Formula: C19H15Cl2NO4
  • H donors: 0 H acceptors: 2 LogP: 4.3 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1cc(ccc1OCc1ccccn1)/C=C/1\OC(=O)C(=C1Cl)Cl
  • InChi: 1S/C19H15Cl2NO4/c1-2-24-15-9-12(10-16-17(20)18(21)19(23)26-16)6-7-14(15)25-11-13-5-3-4-8-22-13/h3-10H,2,11H2,1H3/b16-10-
  • InChiKey: FHKOJWSHWJJAGD-YBEGLDIGSA-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
Mycobacterium tuberculosis Conserved hypothetical protein 0.0022 0.0077 0.5
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0022 0.0077 0.0077
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.1298 1 1
Trypanosoma brucei unspecified product 0.0015 0.0024 0.0024
Trichomonas vaginalis CMGC family protein kinase 0.1298 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0077 0.0077
Leishmania major glycosyl hydrolase-like protein 0.0014 0.0016 0.0016
Trypanosoma brucei glycosyl hydrolase-like protein 0.0014 0.0016 0.0016
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0037 0.0199 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.0304 0.0304
Leishmania major DNA polymerase kappa, putative 0.0022 0.0077 0.0077
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0304 0.0271
Trichomonas vaginalis sucrase-isomaltase, putative 0.0037 0.0199 0.0183
Echinococcus granulosus mitogen activated protein kinase 0.1298 1 1
Schistosoma mansoni serine/threonine protein kinase 0.1298 1 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0169 0.1218 0.1218
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.0199 0.0183
Trichomonas vaginalis CMGC family protein kinase 0.1298 1 1
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0022 0.0077 0.0061
Echinococcus multilocularis neutral alpha glucosidase AB 0.0037 0.0199 0.0199
Schistosoma mansoni alpha glucosidase 0.0037 0.0199 0.0165
Schistosoma mansoni jumonji/arid domain-containing protein 0.0061 0.0381 0.0348
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0016 0.0034 0.0034
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.1298 1 1
Schistosoma mansoni DNA polymerase eta 0.0022 0.0077 0.0043
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0022 0.0077 0.0077
Plasmodium falciparum JmjC domain-containing protein, putative 0.0016 0.0034 0.5
Echinococcus multilocularis lysosomal alpha glucosidase 0.0169 0.1218 0.1218
Echinococcus multilocularis JmjC domain containing protein 4 0.0016 0.0034 0.0034
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.0304 0.0304
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0037 0.0199 0.0199
Echinococcus granulosus lysosomal alpha glucosidase 0.0169 0.1218 0.1188
Schistosoma mansoni alpha-glucosidase 0.0145 0.1036 0.1005
Loa Loa (eye worm) hypothetical protein 0.0014 0.0016 0.0016
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0051 0.0304 0.0304
Loa Loa (eye worm) transcription factor SMAD2 0.012 0.0837 0.0837
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0016 0.0034 0.0034
Trichomonas vaginalis CMGC family protein kinase 0.1298 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0077 0.0077
Trypanosoma brucei DNA polymerase IV, putative 0.0022 0.0077 0.0077
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.1298 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0304 0.0271
Trichomonas vaginalis CMGC family protein kinase 0.1298 1 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.0199 0.0183
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0304 0.0271
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0077 0.0077
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.0304 0.0271
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.0199 0.0183
Trypanosoma brucei DNA polymerase IV, putative 0.0022 0.0077 0.0077
Trichomonas vaginalis DNA polymerase eta, putative 0.0022 0.0077 0.0061
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0077 0.0077
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.0199 0.0183
Leishmania major alpha glucosidase II subunit, putative 0.0037 0.0199 0.0199
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0022 0.0077 0.5
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.0077 0.0077
Echinococcus granulosus lysine specific demethylase 5A 0.0061 0.0381 0.0348
Trypanosoma brucei DNA polymerase eta, putative 0.0022 0.0077 0.0077
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0022 0.0077 0.0077
Loa Loa (eye worm) jmjC domain-containing protein 0.0061 0.0381 0.0381
Echinococcus multilocularis lysine specific demethylase 6a 0.0016 0.0034 0.0034
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0014 0.0016 0.0016
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.0077 0.0077
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0037 0.0199 0.0183
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0022 0.0077 0.0043
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0077 0.0077
Trypanosoma brucei unspecified product 0.0022 0.0077 0.0077
Trypanosoma brucei unspecified product 0.0015 0.0024 0.0024
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0014 0.0016 0.0016
Leishmania major DNA polymerase eta, putative 0.0022 0.0077 0.0077
Plasmodium vivax JmjC domain containing protein 0.0016 0.0034 0.5
Schistosoma mansoni jumonji domain containing protein 0.0061 0.0381 0.0348
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0077 0.0077
Brugia malayi ImpB/MucB/SamB family protein 0.0022 0.0077 0.0077
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0077 0.0077
Trypanosoma brucei glucosidase, putative 0.0037 0.0199 0.0199
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0037 0.0199 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.0024 0.0024
Trypanosoma brucei protein kinase, putative 0.1298 1 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.0077 0.0077
Echinococcus multilocularis dna polymerase kappa 0.0022 0.0077 0.0077
Echinococcus multilocularis mitogen activated protein kinase 3 0.1298 1 1
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.1298 1 1
Loa Loa (eye worm) MH2 domain-containing protein 0.012 0.0837 0.0837
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0077 0.0077
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0022 0.0077 0.0043
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0169 0.1218 0.1218
Brugia malayi Glycosyl hydrolases family 31 protein 0.0169 0.1218 0.1218
Loa Loa (eye worm) hypothetical protein 0.0016 0.0034 0.0034
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.1298 1 1
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0037 0.0199 0.0165
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0199 0.0199
Echinococcus granulosus neutral alpha glucosidase AB 0.0037 0.0199 0.0165
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0077 0.0077
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.0077 0.0077
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.1298 1 1
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0061 0.0381 0.0381
Brugia malayi jmjC domain containing protein 0.0016 0.0034 0.0034
Brugia malayi Glycosyl hydrolases family 31 protein 0.0014 0.0016 0.0016
Loa Loa (eye worm) hypothetical protein 0.0016 0.0034 0.0034
Loa Loa (eye worm) jmjC domain-containing protein 0.0016 0.0034 0.0034
Brugia malayi MH2 domain containing protein 0.012 0.0837 0.0837
Mycobacterium ulcerans DNA polymerase IV 0.0022 0.0077 0.5
Brugia malayi Glycosyl hydrolases family 31 protein 0.0037 0.0199 0.0199
Mycobacterium ulcerans DNA polymerase IV 0.0022 0.0077 0.5
Brugia malayi jmjC domain containing protein 0.0016 0.0034 0.0034
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0199 0.0199
Loa Loa (eye worm) hypothetical protein 0.0022 0.0077 0.0077
Brugia malayi ImpB/MucB/SamB family protein 0.0022 0.0077 0.0077
Echinococcus multilocularis mitogen activated protein kinase 0.1298 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.0304 0.0271
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0061 0.0381 0.0348
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0016 0.0034 0.0034
Echinococcus granulosus mitogen activated protein kinase 3 0.1298 1 1
Echinococcus multilocularis lysine specific demethylase 5A 0.0061 0.0381 0.0381
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.1298 1 1
Echinococcus multilocularis dna polymerase eta 0.0022 0.0077 0.0077
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.0199 0.0183
Trichomonas vaginalis maltase-glucoamylase, putative 0.0037 0.0199 0.0183
Loa Loa (eye worm) jmjC domain-containing protein 0.0016 0.0034 0.0034
Loa Loa (eye worm) hypothetical protein 0.0016 0.0034 0.0034
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.0024 0.0024
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0016 0.0034 0.0034
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0077 0.0077
Brugia malayi jmjC domain containing protein 0.0061 0.0381 0.0381
Entamoeba histolytica deoxycytidyl transferase, putative 0.0022 0.0077 0.3321
Schistosoma mansoni alpha-glucosidase 0.0145 0.1036 0.1005
Trypanosoma brucei DNA polymerase IV, putative 0.0022 0.0077 0.0077
Trypanosoma cruzi DNA polymerase eta, putative 0.0022 0.0077 0.0077
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0037 0.0199 0.0183
Brugia malayi jmjC domain containing protein 0.0061 0.0381 0.0381
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.1298 1 1
Brugia malayi jmjC domain containing protein 0.0016 0.0034 0.0034
Echinococcus multilocularis phd:f box containing protein 0.0016 0.0034 0.0034
Giardia lamblia Kinase, CMGC MAPK 0.1298 1 1
Echinococcus granulosus dna polymerase kappa 0.0022 0.0077 0.0043
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.0024 0.0024
Brugia malayi jmjC domain containing protein 0.0016 0.0034 0.0034
Loa Loa (eye worm) jmjC domain-containing protein 0.0016 0.0034 0.0034
Schistosoma mansoni terminal deoxycytidyl transferase 0.0022 0.0077 0.0043
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0051 0.0304 0.0304
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.1298 1 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0061 0.0381 0.0348
Leishmania major hypothetical protein, conserved 0.0016 0.0034 0.0034
Onchocerca volvulus 0.0097 0.0666 1
Echinococcus granulosus dna polymerase eta 0.0022 0.0077 0.0043
Echinococcus multilocularis jumonji domain containing 1A 0.0016 0.0034 0.0034

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = 36.8 % Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-induced nitric oxide release at 10 uM treated 2 hrs before LPS challenge measured after 48 hrs by Griess assay relative to control ChEMBL. 24333613

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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