Detailed information for compound 76557

Basic information

Technical information
  • TDR Targets ID: 76557
  • Name: 1-butyl-3-[2-[4-(2-methoxyphenyl)piperazin-1- yl]ethyl]thieno[3,2-d]pyrimidine-2,4-dione
  • MW: 442.574 | Formula: C23H30N4O3S
  • H donors: 0 H acceptors: 2 LogP: 3.68 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCn1c2ccsc2c(=O)n(c1=O)CCN1CCN(CC1)c1ccccc1OC
  • InChi: 1S/C23H30N4O3S/c1-3-4-10-26-19-9-17-31-21(19)22(28)27(23(26)29)16-13-24-11-14-25(15-12-24)18-7-5-6-8-20(18)30-2/h5-9,17H,3-4,10-16H2,1-2H3
  • InChiKey: DRFNFNJDXSTXEK-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 1-butyl-3-[2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl]thieno[3,2-d]pyrimidine-2,4-dione
  • 1-butyl-3-[2-[4-(2-methoxyphenyl)piperazino]ethyl]thieno[3,2-d]pyrimidine-2,4-quinone
  • 1-butyl-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]thieno[2,3-e]pyrimidine-2,4-dione
  • 1-butyl-3-[2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl]thieno[2,3-e]pyrimidine-2,4-dione
  • 1-butyl-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]thieno[2,3-e]pyrimidine-2,4-quinone

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
Echinococcus multilocularis neuropeptide s receptor 0.0472 1 1
Onchocerca volvulus 0.0081 0.062 1
Loa Loa (eye worm) hypothetical protein 0.0081 0.062 0.2602
Echinococcus multilocularis geminin 0.0165 0.2632 0.2632
Loa Loa (eye worm) hypothetical protein 0.0081 0.062 0.2602
Echinococcus multilocularis neuropeptide receptor A26 0.0472 1 1
Toxoplasma gondii transporter, major facilitator family protein 0.0081 0.062 0.1451
Schistosoma mansoni organic anion transporter 0.0081 0.062 0.2357
Brugia malayi sodium-independent organic anion transporter family protein 0.0081 0.062 0.2602
Onchocerca volvulus 0.0081 0.062 1
Echinococcus multilocularis Solute carrier organic anion transporter family 0.0081 0.062 0.062
Brugia malayi hypothetical protein 0.0081 0.062 0.2602
Loa Loa (eye worm) STAT protein 0.0155 0.2384 1
Onchocerca volvulus Putative organic anion transporter 0.0081 0.062 1
Loa Loa (eye worm) hypothetical protein 0.0081 0.062 0.2602
Loa Loa (eye worm) sodium-independent organic anion transporter 0.0081 0.062 0.2602
Loa Loa (eye worm) hypothetical protein 0.0081 0.062 0.2602
Brugia malayi sodium-independent organic anion transporter family protein 0.0081 0.062 0.2602
Onchocerca volvulus 0.0081 0.062 1
Schistosoma mansoni hypothetical protein 0.0165 0.2632 1
Echinococcus granulosus geminin 0.0165 0.2632 0.2632
Echinococcus granulosus neuropeptide receptor A26 0.0472 1 1
Toxoplasma gondii 1,3-beta-glucan synthase component protein 0.0233 0.4274 1
Onchocerca volvulus Putative organic anion transporter 0.0081 0.062 1
Onchocerca volvulus 0.0081 0.062 1
Loa Loa (eye worm) hypothetical protein 0.0081 0.062 0.2602
Onchocerca volvulus 0.0081 0.062 1
Onchocerca volvulus Putative organic anion transporter 0.0081 0.062 1
Loa Loa (eye worm) hypothetical protein 0.0081 0.062 0.2602
Echinococcus multilocularis organic anion transporting polypeptide 30B 0.0081 0.062 0.062
Schistosoma mansoni hypothetical protein 0.0165 0.2632 1
Loa Loa (eye worm) hypothetical protein 0.0081 0.062 0.2602
Brugia malayi hypothetical protein 0.0081 0.062 0.2602
Brugia malayi STAT protein, DNA binding domain containing protein 0.0155 0.2384 1
Brugia malayi prostaglandin transporter 0.0081 0.062 0.2602
Trypanosoma cruzi MFS transporter, putative 0.0081 0.062 0.5
Schistosoma mansoni organic anion transporter 0.0081 0.062 0.2357
Echinococcus granulosus Solute carrier organic anion transporter family 0.0081 0.062 0.062
Echinococcus granulosus organic anion transporting polypeptide 30B 0.0081 0.062 0.062
Brugia malayi sodium-independent organic anion transporter family protein 0.0081 0.062 0.2602

Activities

Activity type Activity value Assay description Source Reference
Delta SBP (functional) = -28 mmHg Evaluated for blood pressure lowering activity in spontaneously hypertensive rats (maximum change of systolic blood pressure (SBP)) at a dose of 1.25 mg/kg ChEMBL. 2842504
Time (functional) = 0.5 hr Time to reach peak plasma concentration in spontaneously hypertensive rats after oral administration of 1.25 mg/kg of the compound ChEMBL. 2842504

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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