Detailed information for compound 71696

Basic information

Technical information
  • TDR Targets ID: 71696
  • Name: (4-chlorophenyl) N-(3,4-dihydro-1H-isoquinoli n-2-yl)carbamate
  • MW: 302.756 | Formula: C16H15ClN2O2
  • H donors: 1 H acceptors: 1 LogP: 3.89 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Oc1ccc(cc1)Cl)NN1CCc2c(C1)cccc2
  • InChi: 1S/C16H15ClN2O2/c17-14-5-7-15(8-6-14)21-16(20)18-19-10-9-12-3-1-2-4-13(12)11-19/h1-8H,9-11H2,(H,18,20)
  • InChiKey: WEXVNYXVEKRXAG-UHFFFAOYSA-N  

Network

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Synonyms

  • N-(3,4-dihydro-1H-isoquinolin-2-yl)carbamic acid (4-chlorophenyl) ester

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lipase, hormone-sensitive Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum Hormone-sensitive lipase, putative Get druggable targets OG5_132840 All targets in OG5_132840
Schistosoma japonicum ko:K07188 hormone-sensitive lipase [EC3.1.1.79], putative Get druggable targets OG5_132840 All targets in OG5_132840
Schistosoma japonicum Hormone-sensitive lipase, putative Get druggable targets OG5_132840 All targets in OG5_132840
Echinococcus granulosus hormone sensitive lipase Get druggable targets OG5_132840 All targets in OG5_132840
Schistosoma mansoni hormone-sensitive lipase (S09 family) Get druggable targets OG5_132840 All targets in OG5_132840
Schistosoma mansoni hormone-sensitive lipase (S09 family) Get druggable targets OG5_132840 All targets in OG5_132840
Schistosoma mansoni hormone-sensitive lipase (S09 family) Get druggable targets OG5_132840 All targets in OG5_132840
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132840 All targets in OG5_132840
Echinococcus multilocularis hormone sensitive lipase Get druggable targets OG5_132840 All targets in OG5_132840

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 hormone-sensitive lipase (S09 family) 0.0253 0.4889 0.4889
Echinococcus multilocularis nmda type glutamate receptor 0.0083 0.1098 0.1064
Loa Loa (eye worm) raf kinase 0.0481 0.9948 1
Schistosoma mansoni hormone-sensitive lipase (S09 family) 0.0253 0.4889 0.4889
Loa Loa (eye worm) hypothetical protein 0.032 0.6382 0.6261
Brugia malayi Trypsin family protein 0.032 0.6382 0.648
Mycobacterium ulcerans glutamine-binding lipoprotein GlnH 0.006 0.0582 0.5
Loa Loa (eye worm) hypothetical protein 0.032 0.6382 0.6261
Loa Loa (eye worm) TKL/RAF/RAF protein kinase 0.0274 0.5348 0.5176
Treponema pallidum amino acid ABC transporter, periplasmic binding protein 0.006 0.0582 0.5
Treponema pallidum amino acid ABC transporter, periplasmic binding protein (hisJ) 0.006 0.0582 0.5
Echinococcus granulosus hormone sensitive lipase 0.0253 0.4889 0.4869
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0334 0.6688 0.6688
Schistosoma mansoni hormone-sensitive lipase (S09 family) 0.0253 0.4889 0.4889
Schistosoma mansoni serine/threonine protein kinase 0.0483 1 1
Chlamydia trachomatis glutamine binding protein 0.006 0.0582 0.5
Echinococcus multilocularis hormone sensitive lipase 0.0253 0.4889 0.4869
Loa Loa (eye worm) hypothetical protein 0.0253 0.4889 0.4695
Chlamydia trachomatis arginine ABC transporter substrate-binding protein ArtJ 0.006 0.0582 0.5
Echinococcus granulosus nmda type glutamate receptor 0.0083 0.1098 0.1064
Mycobacterium tuberculosis Probable glutamine-binding lipoprotein GlnH (GLNBP) 0.006 0.0582 0.5
Onchocerca volvulus 0.032 0.6382 1
Echinococcus multilocularis raf serine:threonine protein kinase 0.0483 1 1
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0083 0.1098 0.1064
Onchocerca volvulus 0.0291 0.5735 0.8915
Brugia malayi Raf kinase 0.0466 0.9625 1
Schistosoma mansoni hypothetical protein 0.0052 0.0412 0.0412
Schistosoma mansoni glutamate receptor NMDA 0.0035 0.0039 0.0039
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.032 0.6382 0.6382

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 19 nM Inhibition of human recombinant hormone sensitive lipase. ChEMBL. 15026062
IC50 (binding) = 19 nM Inhibition of human recombinant hormone sensitive lipase. ChEMBL. 15026062
Inhibition (binding) = 98 % Inhibition of recombinant human hormone sensitive lipase (HSL) ChEMBL. 15026062
Inhibition (binding) = 98 % Inhibition of recombinant human hormone sensitive lipase (HSL) ChEMBL. 15026062

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

1 literature reference was collected for this gene.

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