Detailed information for compound 800967

Basic information

Technical information
  • TDR Targets ID: 800967
  • Name: 1-(2-chloro-6-fluorophenyl)-6,7-diethoxy-1,2, 3,4-tetrahydroisoquinoline
  • MW: 349.827 | Formula: C19H21ClFNO2
  • H donors: 1 H acceptors: 0 LogP: 4.42 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1cc2c(cc1OCC)CCNC2c1c(F)cccc1Cl
  • InChi: 1S/C19H21ClFNO2/c1-3-23-16-10-12-8-9-22-19(13(12)11-17(16)24-4-2)18-14(20)6-5-7-15(18)21/h5-7,10-11,19,22H,3-4,8-9H2,1-2H3
  • InChiKey: SFKIMETUOKTCFK-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 1-(2-chloro-6-fluoro-phenyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline
  • A2674/0113941
  • Oprea1_688549

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 spcc417.12 protein, putative 0.0146 0.0901 1
Loa Loa (eye worm) hypothetical protein 0.0146 0.0901 0.205
Trypanosoma brucei aldehyde dehydrogenase family, putative 0.0081 0.0106 0.5
Echinococcus multilocularis acetylcholinesterase 0.0396 0.3983 1
Echinococcus multilocularis para nitrobenzyl esterase 0.0146 0.0901 0.2262
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0 0.5
Schistosoma mansoni aldehyde dehydrogenase 0.0081 0.0106 0.0266
Schistosoma mansoni BC026374 protein (S09 family) 0.0146 0.0901 0.2262
Echinococcus multilocularis neuroligin 0.0146 0.0901 0.2262
Echinococcus multilocularis acetylcholinesterase 0.0396 0.3983 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0146 0.0901 0.2262
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0146 0.0901 0.0901
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0146 0.0901 0.2262
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0396 0.3983 1
Loa Loa (eye worm) acetylcholinesterase 1 0.0396 0.3983 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase (NAD+) dependent 0.0081 0.0106 0.0106
Brugia malayi Carboxylesterase family protein 0.0146 0.0901 0.205
Loa Loa (eye worm) hypothetical protein 0.0396 0.3983 1
Onchocerca volvulus 0.0146 0.0901 1
Onchocerca volvulus 0.0146 0.0901 1
Loa Loa (eye worm) hypothetical protein 0.0396 0.3983 1
Brugia malayi Carboxylesterase family protein 0.0146 0.0901 0.205
Schistosoma mansoni acetylcholinesterase 0.0146 0.0901 0.2262
Loa Loa (eye worm) hypothetical protein 0.0146 0.0901 0.205
Trypanosoma cruzi aldehyde dehydrogenase family, putative 0.0081 0.0106 0.5
Echinococcus granulosus neuroligin 0.0146 0.0901 0.2262
Echinococcus granulosus BC026374 protein S09 family 0.0146 0.0901 0.2262
Echinococcus granulosus acetylcholinesterase 0.0396 0.3983 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0 0.5
Echinococcus multilocularis aldehyde dehydrogenase family 3 member B1 0.0081 0.0106 0.0266
Mycobacterium ulcerans carboxylesterase, LipT 0.0883 1 1
Brugia malayi Carboxylesterase family protein 0.0396 0.3983 1
Echinococcus multilocularis Fatty aldehyde dehydrogenase 0.0081 0.0106 0.0266
Echinococcus granulosus aldehyde dehydrogenase family 3 member B1 0.0081 0.0106 0.0266
Brugia malayi hypothetical protein 0.0146 0.0901 0.205
Trypanosoma cruzi aldehyde dehydrogenase family, putative 0.0081 0.0106 0.5
Loa Loa (eye worm) hypothetical protein 0.0146 0.0901 0.205
Entamoeba histolytica aldehyde dehydrogenase 1, putative 0.0081 0.0106 0.5
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0146 0.0901 0.0901
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0146 0.0901 1
Brugia malayi Carboxylesterase family protein 0.0146 0.0901 0.205
Echinococcus granulosus carboxylesterase 5A 0.0396 0.3983 1
Echinococcus multilocularis BC026374 protein (S09 family) 0.0146 0.0901 0.2262
Brugia malayi Carboxylesterase family protein 0.0146 0.0901 0.205
Loa Loa (eye worm) hypothetical protein 0.0146 0.0901 0.205
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0146 0.0901 0.2262
Echinococcus multilocularis carboxylesterase 5A 0.0396 0.3983 1
Schistosoma mansoni gliotactin 0.0146 0.0901 0.2262
Echinococcus granulosus para nitrobenzyl esterase 0.0146 0.0901 0.2262
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0146 0.0901 0.2262
Onchocerca volvulus 0.0146 0.0901 1
Loa Loa (eye worm) carboxylesterase 0.0396 0.3983 1
Onchocerca volvulus 0.0146 0.0901 1
Loa Loa (eye worm) hypothetical protein 0.0146 0.0901 0.205
Echinococcus granulosus acetylcholinesterase 0.0396 0.3983 1
Echinococcus granulosus Fatty aldehyde dehydrogenase 0.0081 0.0106 0.0266
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0146 0.0901 0.2262
Schistosoma mansoni neuroligin 3 (S09 family) 0.0146 0.0901 0.2262
Brugia malayi Carboxylesterase family protein 0.0396 0.3983 1
Loa Loa (eye worm) hypothetical protein 0.0146 0.0901 0.205
Mycobacterium ulcerans aldehyde dehydrogenase (NAD+) dependent 0.0081 0.0106 0.0106
Mycobacterium leprae PROBABLE ALDEHYDE DEHYDROGENASE (NAD+) DEPENDENT 0.0081 0.0106 0.5
Onchocerca volvulus 0.0146 0.0901 1
Loa Loa (eye worm) carboxylesterase 0.0146 0.0901 0.205
Loa Loa (eye worm) carboxylesterase 0.0146 0.0901 0.205
Loa Loa (eye worm) hypothetical protein 0.0146 0.0901 0.205

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.