Detailed information for compound 866612

Basic information

Technical information
  • TDR Targets ID: 866612
  • Name: 4-(4-ethylpiperazine-1-carbonyl)-2-methyl-3-t hiophen-2-yl-3,4-dihydroisoquinolin-1-one
  • MW: 383.507 | Formula: C21H25N3O2S
  • H donors: 0 H acceptors: 2 LogP: 2.01 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN1CCN(CC1)C(=O)C1c2ccccc2C(=O)N(C1c1cccs1)C
  • InChi: 1S/C21H25N3O2S/c1-3-23-10-12-24(13-11-23)21(26)18-15-7-4-5-8-16(15)20(25)22(2)19(18)17-9-6-14-27-17/h4-9,14,18-19H,3,10-13H2,1-2H3
  • InChiKey: CNFJZSXAWWSQBD-UHFFFAOYSA-N  

Network

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Synonyms

  • 4-(4-ethylpiperazine-1-carbonyl)-2-methyl-3-(2-thienyl)-3,4-dihydroisoquinolin-1-one
  • 4-[(4-ethyl-1-piperazinyl)-oxomethyl]-2-methyl-3-(2-thienyl)-3,4-dihydroisoquinolin-1-one
  • 4-(4-ethylpiperazine-1-carbonyl)-2-methyl-3-(2-thienyl)-3,4-dihydroisocarbostyril
  • 4-(4-ethylpiperazin-1-yl)carbonyl-2-methyl-3-thiophen-2-yl-3,4-dihydroisoquinolin-1-one
  • EU-0022339
  • UNM000003631801

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 nephrin 0.0279 0.0103 0.0299
Brugia malayi Immunoglobulin I-set domain containing protein 0.3631 0.6174 0.9053
Loa Loa (eye worm) hypothetical protein 0.0441 0.0397 0.0582
Echinococcus granulosus twitchin 0.0279 0.0104 0.0104
Mycobacterium ulcerans hydrolase 0.1756 0.2778 0.5
Schistosoma mansoni plexin 0.0441 0.0397 0.1154
Echinococcus multilocularis neuroglian 0.0279 0.0103 0.0103
Loa Loa (eye worm) matrix metalloproteinase 0.1442 0.2209 0.3239
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.2122 0.344 1
Echinococcus multilocularis plexin a4 0.0525 0.0548 0.0548
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.5744 1 1
Loa Loa (eye worm) hypothetical protein 0.0351 0.0234 0.0343
Loa Loa (eye worm) hypothetical protein 0.0294 0.0131 0.0192
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0294 0.0131 0.0131
Loa Loa (eye worm) hypothetical protein 0.1442 0.2209 0.3239
Brugia malayi Matrixin family protein 0.1442 0.2209 0.3239
Loa Loa (eye worm) hypothetical protein 0.1442 0.2209 0.3239
Echinococcus multilocularis roundabout 2 0.0351 0.0234 0.0234
Loa Loa (eye worm) matrixin family protein 0.3988 0.682 1
Brugia malayi Plexin repeat family protein 0.0441 0.0397 0.0582
Brugia malayi Matrixin family protein 0.1442 0.2209 0.3239
Onchocerca volvulus Matrilysin homolog 0.3878 0.662 1
Loa Loa (eye worm) TK/KIN16 protein kinase 0.3631 0.6174 0.9053
Onchocerca volvulus 0.3294 0.5564 0.8302
Brugia malayi Matrixin family protein 0.3988 0.682 1
Schistosoma mansoni hypothetical protein 0.0251 0.0052 0.0152
Onchocerca volvulus 0.1866 0.2978 0.4147
Onchocerca volvulus Matrix metalloproteinase homolog 0.3198 0.539 0.8022
Schistosoma mansoni hypothetical protein 0.1866 0.2978 0.8656
Onchocerca volvulus Matrilysin homolog 0.1442 0.2209 0.2912
Echinococcus granulosus roundabout 2 0.0351 0.0234 0.0234
Mycobacterium leprae PROBABLE HYDROLASE 0.1756 0.2778 0.5
Brugia malayi Matrixin family protein 0.1442 0.2209 0.3239
Onchocerca volvulus Tyrosine kinase homolog 0.3394 0.5743 0.8591
Echinococcus granulosus plexin a4 0.0525 0.0548 0.0548
Loa Loa (eye worm) hypothetical protein 0.1756 0.2778 0.4074
Loa Loa (eye worm) hypothetical protein 0.0251 0.0052 0.0077
Brugia malayi Hemopexin family protein 0.1866 0.2978 0.4366
Onchocerca volvulus 0.1442 0.2209 0.2912
Loa Loa (eye worm) hypothetical protein 0.2122 0.344 0.5044
Brugia malayi plexin A 0.0525 0.0548 0.0804
Loa Loa (eye worm) plexin A 0.0525 0.0548 0.0804
Echinococcus granulosus neuroglian 0.0279 0.0103 0.0103
Loa Loa (eye worm) hypothetical protein 0.0351 0.0234 0.0343
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.1756 0.2778 0.4074
Schistosoma mansoni plexin 0.0251 0.0052 0.0152
Schistosoma mansoni matrix metallopeptidase-9 (M10 family) 0.1078 0.1551 0.4508
Brugia malayi Matrixin family protein 0.1442 0.2209 0.3239
Loa Loa (eye worm) matrixin family protein 0.3198 0.539 0.7903
Schistosoma mansoni cell adhesion molecule 0.0294 0.0131 0.0381
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.1756 0.2778 0.5

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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