Detailed information for compound 865520

Basic information

Technical information
  • TDR Targets ID: 865520
  • Name: [5-methyl-4-(4-phenylpiperazin-1-yl)thieno[5, 4-d]pyrimidin-6-yl]-[4-(phenylmethyl)piperazi n-1-yl]methanone
  • MW: 512.669 | Formula: C29H32N6OS
  • H donors: 0 H acceptors: 3 LogP: 5.07 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C(c1sc2c(c1C)c(ncn2)N1CCN(CC1)c1ccccc1)N1CCN(CC1)Cc1ccccc1
  • InChi: 1S/C29H32N6OS/c1-22-25-27(34-18-16-33(17-19-34)24-10-6-3-7-11-24)30-21-31-28(25)37-26(22)29(36)35-14-12-32(13-15-35)20-23-8-4-2-5-9-23/h2-11,21H,12-20H2,1H3
  • InChiKey: XNKVYQSPVOWWTC-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • [5-methyl-4-(4-phenyl-1-piperazinyl)-6-thieno[5,4-d]pyrimidinyl]-[4-(phenylmethyl)-1-piperazinyl]methanone
  • [4-(benzyl)piperazin-1-yl]-[5-methyl-4-(4-phenylpiperazin-1-yl)thieno[5,4-d]pyrimidin-6-yl]methanone
  • Oprea1_094659

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
Loa Loa (eye worm) matrixin family protein 0.5522 0.2059 0.2761
Echinococcus granulosus Blood coagulation inhibitor Disintegrin 1.2764 0.5192 0.5192
Loa Loa (eye worm) hypothetical protein 0.2955 0.0949 0.1248
Echinococcus multilocularis a disintegrin and metalloproteinase with 1.1359 0.4584 0.4653
Loa Loa (eye worm) hypothetical protein 0.3032 0.0982 0.1293
Loa Loa (eye worm) hypothetical protein 0.249 0.0747 0.0974
Onchocerca volvulus 0.332 0.1107 0.2374
Mycobacterium ulcerans hydrolase 0.3032 0.0982 0.5
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.3032 0.0982 0.5
Brugia malayi ADAM-TS Spacer 1 family protein 0.0838 0.0033 0.0074
Onchocerca volvulus Matrix metalloproteinase homolog 0.5522 0.2059 0.867
Brugia malayi metalloprotease disintegrin 16 with thrombospondin type I motif 1.1115 0.4479 1
Echinococcus multilocularis Blood coagulation inhibitor, Disintegrin 1.2764 0.5192 0.5269
Loa Loa (eye worm) matrix metalloproteinase 0.249 0.0747 0.0974
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.2955 0.0949 0.0963
Brugia malayi Matrixin family protein 0.249 0.0747 0.1669
Loa Loa (eye worm) hypothetical protein 1.7802 0.7371 1
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.3032 0.0982 0.2193
Echinococcus multilocularis adam 17 protease 2.3538 0.9853 1
Loa Loa (eye worm) matrixin family protein 0.6275 0.2385 0.3205
Schistosoma mansoni hypothetical protein 0.332 0.1107 0.1123
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.9307 0.3697 0.3697
Schistosoma mansoni matrix metallopeptidase-9 (M10 family) 0.2474 0.074 0.0752
Brugia malayi Matrixin family protein 0.249 0.0747 0.1669
Schistosoma mansoni ADAMTS5 peptidase (M12 family) 1.1359 0.4584 0.4653
Brugia malayi Matrixin family protein 0.6275 0.2385 0.5325
Brugia malayi Matrixin family protein 0.249 0.0747 0.1669
Brugia malayi Matrixin family protein 0.249 0.0747 0.1669
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.9307 0.3697 0.3752
Brugia malayi Hemopexin family protein 0.332 0.1107 0.2471
Onchocerca volvulus Matrilysin homolog 0.5987 0.226 1
Loa Loa (eye worm) hypothetical protein 0.249 0.0747 0.0974
Mycobacterium leprae PROBABLE HYDROLASE 0.3032 0.0982 0.5
Schistosoma mansoni ADAM17 peptidase (M12 family) 2.3538 0.9853 1
Echinococcus granulosus a disintegrin and metalloproteinase with 1.1359 0.4584 0.4584

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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