Detailed information for compound 900600

Basic information

Technical information
  • TDR Targets ID: 900600
  • Name: 2-amino-1-(3-chloro-2-methylphenyl)-4-(4-meth ylsulfanylphenyl)-5-oxo-4,6,7,8-tetrahydroqui noline-3-carbonitrile
  • MW: 435.969 | Formula: C24H22ClN3OS
  • H donors: 1 H acceptors: 2 LogP: 5.21 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CSc1ccc(cc1)C1C(=C(N)N(C2=C1C(=O)CCC2)c1cccc(c1C)Cl)C#N
  • InChi: 1S/C24H22ClN3OS/c1-14-18(25)5-3-6-19(14)28-20-7-4-8-21(29)23(20)22(17(13-26)24(28)27)15-9-11-16(30-2)12-10-15/h3,5-6,9-12,22H,4,7-8,27H2,1-2H3
  • InChiKey: OXDKQGJPVZIHDN-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-amino-1-(3-chloro-2-methyl-phenyl)-4-(4-methylsulfanylphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
  • 2-amino-1-(3-chloro-2-methylphenyl)-4-[4-(methylthio)phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
  • 2-amino-1-(3-chloro-2-methyl-phenyl)-5-keto-4-[4-(methylthio)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile
  • A1809/0076466
  • Oprea1_867646

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
Schistosoma mansoni amidase 0.0103 0.6185 0.639
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.008 0.4715 0.5
Plasmodium falciparum esterase, putative 0.008 0.4715 1
Echinococcus multilocularis ankyrin repeat protein 0.0158 0.968 0.968
Trichomonas vaginalis conserved hypothetical protein 0.008 0.4715 0.5
Schistosoma mansoni transient receptor potential cation channel subfamily A member 0.0158 0.968 1
Echinococcus multilocularis short transient receptor potential channel 6 0.0005 0.0015 0.0015
Treponema pallidum aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0012 0.0478 0.5
Echinococcus granulosus fatty acid amide hydrolase 1 0.0103 0.6185 0.6195
Plasmodium falciparum lysophospholipase, putative 0.008 0.4715 1
Echinococcus granulosus short transient receptor potential channel 6 0.0005 0.0015 0.0015
Mycobacterium ulcerans hypothetical protein 0.008 0.4715 1
Trypanosoma cruzi monoglyceride lipase, putative 0.008 0.4715 1
Leishmania major monoglyceride lipase, putative 0.008 0.4715 1
Loa Loa (eye worm) amidase 0.0012 0.0478 0.0773
Trichomonas vaginalis conserved hypothetical protein 0.008 0.4715 0.5
Echinococcus granulosus ankyrin repeat protein 0.0158 0.968 0.9695
Loa Loa (eye worm) hypothetical protein 0.0103 0.6185 1
Schistosoma mansoni transient receptor potential channel 0.0005 0.0015 0.0016
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0103 0.6185 0.6185
Echinococcus multilocularis glutamyl tRNA(Gln) amidotransferase subunit A 0.0012 0.0478 0.0478
Schistosoma mansoni glutamyl-tRNA(Gln) amidotransferase subunit A 0.0012 0.0478 0.0494
Brugia malayi amidase 0.0103 0.6185 1
Mycobacterium leprae POSSIBLE LYSOPHOSPHOLIPASE 0.008 0.4715 1
Mycobacterium tuberculosis Possible lysophospholipase 0.008 0.4715 1
Plasmodium falciparum lysophospholipase, putative 0.008 0.4715 1
Mycobacterium ulcerans lysophospholipase 0.008 0.4715 1
Trichomonas vaginalis valacyclovir hydrolase, putative 0.008 0.4715 0.5
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.008 0.4715 0.5
Brugia malayi Amidase family protein 0.0012 0.0478 0.075
Plasmodium vivax PST-A protein 0.008 0.4715 1
Echinococcus granulosus fatty acid amide hydrolase 1 0.0103 0.6185 0.6195
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0103 0.6185 0.6185
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.008 0.4715 0.5
Loa Loa (eye worm) hypothetical protein 0.0005 0.0015 0.0025
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.008 0.4715 0.5
Plasmodium falciparum lysophospholipase, putative 0.008 0.4715 1
Echinococcus granulosus glutamyl tRNAGln amidotransferase subunit A 0.0012 0.0478 0.0479
Schistosoma mansoni fatty-acid amide hydrolase 0.0103 0.6185 0.639
Brugia malayi Amidase family protein 0.0012 0.0478 0.075
Schistosoma mansoni fatty-acid amide hydrolase 0.0012 0.0478 0.0494
Trypanosoma brucei monoglyceride lipase, putative 0.008 0.4715 1
Chlamydia trachomatis glutamyl-tRNA(Gln) amidotransferase subunit A 0.0012 0.0478 0.5
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.008 0.4715 0.5
Loa Loa (eye worm) amidase 0.0012 0.0478 0.0773
Echinococcus multilocularis transient receptor potential cation channel 0.0005 0.0015 0.0015
Echinococcus granulosus fatty acid amide hydrolase 1 0.0012 0.0478 0.0479
Echinococcus granulosus transient receptor potential cation channel 0.0163 0.9985 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.008 0.4715 0.5
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.008 0.4715 0.5
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0012 0.0478 0.0478
Trypanosoma brucei monoglyceride lipase, putative 0.008 0.4715 1
Echinococcus granulosus transient receptor potential cation channel 0.0005 0.0015 0.0015
Wolbachia endosymbiont of Brugia malayi aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0012 0.0478 0.5
Brugia malayi putative amidase 0.0012 0.0478 0.075

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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