Detailed information for compound 74957

Basic information

Technical information
  • TDR Targets ID: 74957
  • Name: 3-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl] -1H-thieno[3,2-d]pyrimidine-2,4-dione
  • MW: 390.887 | Formula: C18H19ClN4O2S
  • H donors: 1 H acceptors: 2 LogP: 2.9 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)scc2
  • InChi: 1S/C18H19ClN4O2S/c19-13-3-1-2-4-15(13)22-9-6-21(7-10-22)8-11-23-17(24)16-14(5-12-26-16)20-18(23)25/h1-5,12H,6-11H2,(H,20,25)
  • InChiKey: YFFRAGSTOBAQHL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-[2-[4-(2-chlorophenyl)-1-piperazinyl]ethyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione
  • 3-[2-[4-(2-chlorophenyl)piperazino]ethyl]-1H-thieno[3,2-d]pyrimidine-2,4-quinone
  • 3-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-1H-thieno[2,3-e]pyrimidine-2,4-dione
  • 3-[2-[4-(2-chlorophenyl)-1-piperazinyl]ethyl]-1H-thieno[2,3-e]pyrimidine-2,4-dione
  • 3-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-1H-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 granulosus thymidylate synthase 0.0341 0.6075 0.7559
Echinococcus granulosus dihydrofolate reductase 0.0445 0.8023 1
Brugia malayi hypothetical protein 0.0032 0.0297 0.0363
Leishmania major 4-coumarate:coa ligase-like protein 0.0027 0.0204 0.0005
Onchocerca volvulus 0.0032 0.0297 0.0319
Brugia malayi hypothetical protein 0.0032 0.0297 0.0363
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.055 1 1
Brugia malayi AMP-binding enzyme family protein 0.0027 0.0204 0.0247
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0445 0.8023 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0076 0.0087
Onchocerca volvulus Putative organic anion transporter 0.0032 0.0297 0.0319
Schistosoma mansoni lamin 0.0031 0.0274 0.0211
Leishmania major 4-coumarate:coa ligase-like protein 0.0027 0.0204 0.0005
Loa Loa (eye worm) hypothetical protein 0.003 0.0263 0.0321
Brugia malayi thymidylate synthase 0.0341 0.6075 0.7571
Echinococcus granulosus geminin 0.0194 0.3322 0.4107
Onchocerca volvulus 0.0341 0.6075 1
Toxoplasma gondii protease inhibitor PI2 0.0022 0.0106 0.0106
Loa Loa (eye worm) hypothetical protein 0.0032 0.0297 0.0363
Loa Loa (eye worm) hypothetical protein 0.0032 0.0297 0.0363
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0445 0.8023 1
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.002 0.0076 0.0026
Mycobacterium ulcerans thymidylate synthase 0.0341 0.6075 0.7549
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0027 0.0204 0.0187
Loa Loa (eye worm) kazal-type serine protease inhibitor domain-containing protein 0.0022 0.0106 0.0126
Brugia malayi AMP-binding enzyme family protein 0.0027 0.0204 0.0247
Onchocerca volvulus 0.0031 0.0274 0.028
Chlamydia trachomatis dihydrofolate reductase 0.0445 0.8023 1
Onchocerca volvulus 0.0032 0.0297 0.0319
Brugia malayi sodium-independent organic anion transporter family protein 0.0032 0.0297 0.0363
Loa Loa (eye worm) intermediate filament protein 0.0031 0.0274 0.0334
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0027 0.0204 0.0161
Onchocerca volvulus 0.0032 0.0297 0.0319
Echinococcus multilocularis lamin 0.0031 0.0274 0.0286
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0027 0.0204 0.0161
Echinococcus granulosus intermediate filament protein 0.0031 0.0274 0.0286
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.0204 0.0161
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0031 0.0274 0.0334
Loa Loa (eye worm) hypothetical protein 0.0032 0.0297 0.0363
Loa Loa (eye worm) dihydrofolate reductase 0.0445 0.8023 1
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.055 1 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0297 0.0363
Trypanosoma cruzi C-1-tetrahydrofolate synthase, cytoplasmic, putative 0.0027 0.0199 0.0199
Onchocerca volvulus Putative organic anion transporter 0.0032 0.0297 0.0319
Leishmania major 4-coumarate:coa ligase-like protein 0.0027 0.0204 0.0005
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.0445 0.8023 1
Brugia malayi Kazal-type serine protease inhibitor domain containing protein 0.0022 0.0106 0.0126
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.0162 0.2731 0.2731
Loa Loa (eye worm) hypothetical protein 0.002 0.0076 0.0087
Echinococcus granulosus lamin 0.0031 0.0274 0.0286
Entamoeba histolytica acyl-coA synthetase, putative 0.0027 0.0204 0.5
Loa Loa (eye worm) hypothetical protein 0.0022 0.0106 0.0126
Entamoeba histolytica acyl-CoA synthetase, putative 0.0027 0.0204 0.5
Loa Loa (eye worm) hypothetical protein 0.0031 0.0274 0.0334
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.0204 0.0161
Echinococcus multilocularis expressed protein 0.0022 0.0106 0.0077
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0027 0.0204 0.0161
Echinococcus granulosus Solute carrier organic anion transporter family 0.0032 0.0297 0.0315
Brugia malayi Kazal-type serine protease inhibitor domain containing protein 0.0022 0.0106 0.0126
Schistosoma mansoni organic anion transporter 0.0032 0.0297 0.024
Echinococcus granulosus lamin dm0 0.0031 0.0274 0.0286
Loa Loa (eye worm) hypothetical protein 0.0032 0.0297 0.0363
Trypanosoma cruzi MFS transporter, putative 0.0032 0.0297 0.0297
Entamoeba histolytica acyl-CoA synthetase, putative 0.0027 0.0204 0.5
Mycobacterium ulcerans hypothetical protein 0.0027 0.0204 0.0161
Schistosoma mansoni formate-tetrahydrofolate ligase 0.0027 0.0199 0.0117
Schistosoma mansoni intermediate filament proteins 0.0031 0.0274 0.0211
Schistosoma mansoni hypothetical protein 0.0194 0.3322 0.4062
Brugia malayi dihydrofolate reductase family protein 0.0445 0.8023 1
Echinococcus multilocularis thymidylate synthase 0.0341 0.6075 0.7559
Echinococcus multilocularis geminin 0.0194 0.3322 0.4107
Trypanosoma cruzi C-1-tetrahydrofolate synthase, cytoplasmic, putative 0.0027 0.0199 0.0199
Schistosoma mansoni dihydrofolate reductase 0.0445 0.8023 1
Schistosoma mansoni lamin 0.0031 0.0274 0.0211
Loa Loa (eye worm) hypothetical protein 0.0032 0.0297 0.0363
Brugia malayi prostaglandin transporter 0.0032 0.0297 0.0363
Brugia malayi Dihydrofolate reductase 0.0445 0.8023 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0204 0.0247
Wolbachia endosymbiont of Brugia malayi bifunctional 5,10-methylene-tetrahydrofolate dehydrogenase/5,10-methylene-tetrahydrofolate cyclohydrolase 0.0027 0.0199 0.5
Echinococcus granulosus follistatin 0.0022 0.0106 0.0077
Brugia malayi hypothetical protein 0.0162 0.2731 0.3399
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0027 0.0204 0.0161
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.055 1 1
Echinococcus multilocularis organic anion transporting polypeptide 30B 0.0032 0.0297 0.0315
Loa Loa (eye worm) thymidylate synthase 0.0341 0.6075 0.7571
Onchocerca volvulus 0.0032 0.0297 0.0319
Loa Loa (eye worm) sodium-independent organic anion transporter 0.0032 0.0297 0.0363
Echinococcus multilocularis dihydrofolate reductase 0.0445 0.8023 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.0106 0.0126
Loa Loa (eye worm) hypothetical protein 0.0027 0.0204 0.0247
Trichomonas vaginalis conserved hypothetical protein 0.0162 0.2731 0.5
Brugia malayi SPARC precursor 0.0022 0.0106 0.0126
Brugia malayi Kazal-type serine protease inhibitor domain containing protein 0.0022 0.0106 0.0126
Loa Loa (eye worm) hypothetical protein 0.0022 0.0106 0.0126
Toxoplasma gondii transporter, major facilitator family protein 0.0032 0.0297 0.0297
Loa Loa (eye worm) agrin synaptic family protein 0.0022 0.0106 0.0126
Schistosoma mansoni organic anion transporter 0.0032 0.0297 0.024
Onchocerca volvulus 0.0027 0.0204 0.0163
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.0204 0.0161
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0341 0.6075 0.754
Onchocerca volvulus Putative organic anion transporter 0.0032 0.0297 0.0319
Brugia malayi Intermediate filament tail domain containing protein 0.0031 0.0274 0.0334
Brugia malayi intermediate filament protein 0.0031 0.0274 0.0334
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.055 1 1
Echinococcus multilocularis agrin 0.0022 0.0106 0.0077
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0027 0.0204 0.0187
Treponema pallidum methylenetetrahydrofolate dehydrogenase (folD) 0.0027 0.0199 0.5
Brugia malayi sodium-independent organic anion transporter family protein 0.0032 0.0297 0.0363
Brugia malayi AMP-binding enzyme family protein 0.0027 0.0204 0.0247
Schistosoma mansoni hypothetical protein 0.0194 0.3322 0.4062
Echinococcus multilocularis lamin dm0 0.0031 0.0274 0.0286
Mycobacterium ulcerans bifunctional 5,10-methylene-tetrahydrofolate dehydrogenase/5,10-methylene-tetrahydrofolate cyclohydrolase 0.0027 0.0199 0.0155
Loa Loa (eye worm) hypothetical protein 0.0032 0.0297 0.0363
Toxoplasma gondii Kazal-type serine protease inhibitor domain-containing protein 0.0022 0.0106 0.0106
Toxoplasma gondii Kazal-type serine protease inhibitor domain-containing protein 0.0022 0.0106 0.0106
Brugia malayi Kazal-type serine protease inhibitor domain containing protein 0.0022 0.0106 0.0126
Echinococcus multilocularis musashi 0.0031 0.0274 0.0286
Brugia malayi sodium-independent organic anion transporter family protein 0.0032 0.0297 0.0363
Onchocerca volvulus 0.0031 0.0274 0.028
Loa Loa (eye worm) hypothetical protein 0.002 0.0076 0.0087
Loa Loa (eye worm) hypothetical protein 0.002 0.0076 0.0087
Plasmodium vivax acyl-CoA synthetase, putative 0.002 0.0076 0.0076
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0341 0.6075 0.7556
Loa Loa (eye worm) hypothetical protein 0.0022 0.0106 0.0126
Chlamydia trachomatis bifunctional methylenetetrahydrofolate dehydrogenase/methenyltetrahydrofolate cyclohydrolase 0.0027 0.0199 0.0155
Mycobacterium tuberculosis Hypothetical protein 0.0162 0.2731 0.3359
Echinococcus multilocularis follistatin 0.0022 0.0106 0.0077
Echinococcus multilocularis Solute carrier organic anion transporter family 0.0032 0.0297 0.0315
Loa Loa (eye worm) hypothetical protein 0.002 0.0076 0.0087
Toxoplasma gondii Kazal-type serine protease inhibitor domain-containing protein 0.0022 0.0106 0.0106
Loa Loa (eye worm) hypothetical protein 0.0027 0.0204 0.0247
Onchocerca volvulus 0.0032 0.0297 0.0319
Plasmodium falciparum acyl-CoA synthetase 0.002 0.0076 0.0076
Toxoplasma gondii Kazal-type serine protease inhibitor domain-containing protein 0.0022 0.0106 0.0106
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0341 0.6075 0.7509
Echinococcus granulosus organic anion transporting polypeptide 30B 0.0032 0.0297 0.0315
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.055 1 1
Echinococcus granulosus agrin 0.0022 0.0106 0.0077
Brugia malayi secreted modular calcium-binding protein 1 0.0022 0.0106 0.0126

Activities

Activity type Activity value Assay description Source Reference
Delta SBP (functional) = -30 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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