Detailed information for compound 761661

Basic information

Technical information
  • TDR Targets ID: 761661
  • Name: methyl (4Z)-4-[(2-chlorophenyl)methylidene]-1 -(3,4-dimethoxyphenyl)-2-methyl-5-oxopyrrole- 3-carboxylate
  • MW: 413.851 | Formula: C22H20ClNO5
  • H donors: 0 H acceptors: 2 LogP: 4.03 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)C1=C(C)N(C(=O)/C/1=C/c1ccccc1Cl)c1ccc(c(c1)OC)OC
  • InChi: 1S/C22H20ClNO5/c1-13-20(22(26)29-4)16(11-14-7-5-6-8-17(14)23)21(25)24(13)15-9-10-18(27-2)19(12-15)28-3/h5-12H,1-4H3/b16-11-
  • InChiKey: NBBFOJSBIPDBOT-WJDWOHSUSA-N  

Network

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Synonyms

  • methyl 4-[(2-chlorophenyl)methylidene]-1-(3,4-dimethoxyphenyl)-2-methyl-5-oxopyrrole-3-carboxylate
  • methyl (4Z)-4-[(2-chlorophenyl)methylene]-1-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-pyrrole-3-carboxylate
  • methyl 4-[(2-chlorophenyl)methylene]-1-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-pyrrole-3-carboxylate
  • 4-[(2-chlorophenyl)methylene]-1-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-3-pyrrolecarboxylic acid methyl ester
  • (4Z)-4-[(2-chlorophenyl)methylene]-1-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-3-pyrrolecarboxylic acid methyl ester
  • (4Z)-4-(2-chlorobenzylidene)-1-(3,4-dimethoxyphenyl)-5-keto-2-methyl-2-pyrroline-3-carboxylic acid methyl ester
  • 4-(2-chlorobenzylidene)-1-(3,4-dimethoxyphenyl)-5-keto-2-methyl-2-pyrroline-3-carboxylic acid methyl ester
  • methyl 4-[(2-chlorophenyl)methylidene]-1-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-pyrrole-3-carboxylate
  • methyl (4Z)-4-[(2-chlorophenyl)methylidene]-1-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-pyrrole-3-carboxylate
  • STK161452
  • ZINC04699100

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 chromobox protein, putative 0.0035 0.0436 0.0838
Trichomonas vaginalis chromobox protein, putative 0.0058 0.1453 0.8656
Trichomonas vaginalis chromobox protein, putative 0.0035 0.0436 0.0838
Loa Loa (eye worm) hypothetical protein 0.0025 0.0016 0.005
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0035 0.0452 0.0452
Loa Loa (eye worm) transcription factor SMAD2 0.0099 0.3282 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0327 0.0996
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0093 0.2996 1
Brugia malayi Melibiase family protein 0.0062 0.1628 0.4961
Brugia malayi chromobox protein homolog 3 0.0032 0.0327 0.0996
Mycobacterium ulcerans hypothetical protein 0.0132 0.4742 0.5
Toxoplasma gondii hypothetical protein 0.004 0.0682 0.2277
Loa Loa (eye worm) MH2 domain-containing protein 0.0099 0.3282 1
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.0093 0.2996 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0251 1 1
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.0093 0.2996 1
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0251 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0083 0.2587 0.7349
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0083 0.2587 0.7349
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0083 0.2587 0.7349
Brugia malayi Heterochromatin protein 1 0.0058 0.1453 0.4428
Mycobacterium tuberculosis Conserved hypothetical protein 0.0132 0.4742 0.5
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0093 0.2996 1
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0119 0.4148 0.4148
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0083 0.2587 0.7882
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0035 0.0452 0.0452
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative 0.0062 0.1628 1
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0032 0.0327 0.7399
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0083 0.2587 0.7349
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0083 0.2587 0.7882
Echinococcus multilocularis Glycoside hydrolase, family 27 0.0093 0.2996 1
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0035 0.0436 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0083 0.2587 0.7349
Brugia malayi MH2 domain containing protein 0.0099 0.3282 1
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0062 0.1628 0.1134
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0093 0.2996 1
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0093 0.2996 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0083 0.2587 0.7349
Loa Loa (eye worm) hypothetical protein 0.0062 0.1628 0.4961
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0043 0.0794 0.0794
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0119 0.4148 0.4148
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0251 1 1
Loa Loa (eye worm) heterochromatin protein 1 0.0058 0.1453 0.4428
Trichomonas vaginalis chromobox protein, putative 0.0058 0.1453 0.8656
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0 0.5
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0119 0.4148 0.4148
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0083 0.2587 0.7349
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0035 0.0452 0.0452
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0035 0.0452 0.0452
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0062 0.1628 0.1134
Toxoplasma gondii melibiase subfamily protein 0.0093 0.2996 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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