Detailed information for compound 894524

Basic information

Technical information
  • TDR Targets ID: 894524
  • Name: 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-f uran-2-yl-5,6,7,8-tetrahydroquinoline-3-carbo nitrile
  • MW: 408.901 | Formula: C22H17ClN2O2S
  • H donors: 0 H acceptors: 3 LogP: 5.41 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1c(SCC(=O)c2ccc(cc2)Cl)nc2c(c1c1ccco1)CCCC2
  • InChi: 1S/C22H17ClN2O2S/c23-15-9-7-14(8-10-15)19(26)13-28-22-17(12-24)21(20-6-3-11-27-20)16-4-1-2-5-18(16)25-22/h3,6-11H,1-2,4-5,13H2
  • InChiKey: HFALAOCXTCDSKG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanyl-4-(2-furyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
  • 2-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-4-(2-furyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
  • 2-[[2-(4-chlorophenyl)-2-keto-ethyl]thio]-4-(2-furyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
  • 2-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanyl-4-furan-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
  • Oprea1_774820
  • BAS 01235176
  • ZINC01196204
  • STOCK1S-28990
  • CBMicro_013516
  • Oprea1_183965
  • BIM-0013753.P001

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 conserved hypothetical protein 0.002 0.0608 0.5
Loa Loa (eye worm) hypothetical protein 0.0046 0.2052 0.2052
Echinococcus multilocularis semaphorin 5B 0.0046 0.2052 0.3036
Schistosoma mansoni plexin 0.0109 0.5632 1
Brugia malayi Probable exocyst complex component Sec5 0.002 0.0608 0.0608
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0608 0.5
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.002 0.0608 0.5
Brugia malayi Sema domain containing protein 0.0046 0.2052 0.2052
Echinococcus granulosus plexin a4 0.0129 0.6758 1
Loa Loa (eye worm) plexin A 0.0129 0.6758 0.6758
Loa Loa (eye worm) hypothetical protein 0.0109 0.5632 0.5632
Loa Loa (eye worm) hypothetical protein 0.0046 0.2052 0.2052
Onchocerca volvulus 0.0046 0.2052 0.2052
Loa Loa (eye worm) hypothetical protein 0.002 0.0608 0.0608
Echinococcus granulosus exocyst complex component 2 0.002 0.0608 0.09
Echinococcus multilocularis transcription factor collier 0.002 0.0608 0.09
Schistosoma mansoni hypothetical protein 0.0063 0.3062 0.5438
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0608 0.5
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.002 0.0608 0.5
Loa Loa (eye worm) hypothetical protein 0.0063 0.3062 0.3062
Loa Loa (eye worm) hypothetical protein 0.0187 1 1
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.002 0.0608 0.5
Loa Loa (eye worm) hypothetical protein 0.0046 0.2052 0.2052
Echinococcus granulosus transcription factor collier 0.002 0.0608 0.09
Brugia malayi hypothetical protein 0.0046 0.2052 0.2052
Loa Loa (eye worm) hypothetical protein 0.002 0.0608 0.0608
Echinococcus multilocularis hypothetical protein 0.0046 0.2052 0.3036
Loa Loa (eye worm) hypothetical protein 0.0046 0.2052 0.2052
Schistosoma mansoni hypothetical protein 0.0046 0.2052 0.3643
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0608 0.5
Echinococcus granulosus semaphorin 5B 0.0046 0.2052 0.3036
Brugia malayi plexin A 0.0129 0.6758 0.6758
Loa Loa (eye worm) hypothetical protein 0.0046 0.2052 0.2052
Echinococcus multilocularis plexin a4 0.0129 0.6758 1
Brugia malayi IPT/TIG domain containing protein 0.002 0.0608 0.0608
Echinococcus granulosus semaphorin 1A 0.0046 0.2052 0.3036
Schistosoma mansoni plexin 0.0063 0.3062 0.5438
Schistosoma mansoni hypothetical protein 0.0046 0.2052 0.3643
Brugia malayi Sema domain containing protein 0.0046 0.2052 0.2052
Loa Loa (eye worm) hypothetical protein 0.002 0.0608 0.0608
Brugia malayi hypothetical protein 0.0046 0.2052 0.2052
Schistosoma mansoni semaphorin 5-related 0.0046 0.2052 0.3643
Brugia malayi Plexin repeat family protein 0.0109 0.5632 0.5632
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0608 0.5
Loa Loa (eye worm) hypothetical protein 0.002 0.0608 0.0608
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.002 0.0608 0.5
Toxoplasma gondii hypothetical protein 0.0009 0 0.5
Entamoeba histolytica tyrosin kinase, putative 0.0025 0.0909 1
Schistosoma mansoni hypothetical protein 0.002 0.0608 0.108
Loa Loa (eye worm) hypothetical protein 0.0046 0.2052 0.2052
Loa Loa (eye worm) sema domain-containing protein 0.0046 0.2052 0.2052
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0187 1 1
Brugia malayi DNA-binding protein LAG-1 0.002 0.0608 0.0608
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0608 0.5
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0608 0.5
Entamoeba histolytica protein kinase domain containing protein 0.0025 0.0909 1
Loa Loa (eye worm) sema domain-containing protein 0.0046 0.2052 0.2052
Schistosoma mansoni hypothetical protein 0.002 0.0608 0.108
Schistosoma mansoni fibrocystin l 0.002 0.0608 0.108
Onchocerca volvulus 0.0109 0.5632 0.5632
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.002 0.0608 0.5
Echinococcus multilocularis exocyst complex component 2 0.002 0.0608 0.09

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.