Detailed information for compound 374358

Basic information

Technical information
  • TDR Targets ID: 374358
  • Name: 6-(4-chlorophenyl)-3-[2-(piperidin-1-ylmethyl )-1-benzothiophen-5-yl]thieno[3,2-d]pyrimidin -4-one
  • MW: 492.055 | Formula: C26H22ClN3OS2
  • H donors: 0 H acceptors: 1 LogP: 6.49 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)c1cc2c(s1)c(=O)n(cn2)c1ccc2c(c1)cc(s2)CN1CCCCC1
  • InChi: 1S/C26H22ClN3OS2/c27-19-6-4-17(5-7-19)24-14-22-25(33-24)26(31)30(16-28-22)20-8-9-23-18(12-20)13-21(32-23)15-29-10-2-1-3-11-29/h4-9,12-14,16H,1-3,10-11,15H2
  • InChiKey: PVFOJNGXRJKDMG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6-(4-chlorophenyl)-3-[2-(1-piperidylmethyl)benzothiophen-5-yl]thieno[3,2-d]pyrimidin-4-one
  • 6-(4-chlorophenyl)-3-[2-(1-piperidylmethyl)-5-benzothiophenyl]-4-thieno[3,2-d]pyrimidinone
  • 6-(4-chlorophenyl)-3-[2-(piperidinomethyl)benzothiophen-5-yl]thieno[3,2-d]pyrimidin-4-one
  • 6-(4-chlorophenyl)-3-[2-(piperidin-1-ylmethyl)-1-benzothiophen-5-yl]thieno[2,3-e]pyrimidin-4-one
  • 6-(4-chlorophenyl)-3-[2-(1-piperidylmethyl)benzothiophen-5-yl]thieno[2,3-e]pyrimidin-4-one
  • 6-(4-chlorophenyl)-3-[2-(1-piperidylmethyl)-5-benzothiophenyl]-4-thieno[2,3-e]pyrimidinone
  • 6-(4-chlorophenyl)-3-[2-(piperidinomethyl)benzothiophen-5-yl]thieno[2,3-e]pyrimidin-4-one

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens melanin-concentrating hormone receptor 1 Starlite/ChEMBL References

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
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0244 0.0272 0.3632
Plasmodium falciparum 3',5'-cyclic nucleotide phosphodiesterase, putative 0.018 0 0.5
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0355 0.0749 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0355 0.0749 1
Brugia malayi Probable 3',5'-cyclic phosphodiesterase C32E12.2, putative 0.0244 0.0272 0.0272
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0355 0.0749 1
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0355 0.0749 1
Trypanosoma brucei cAMP-specific phosphodiesterase 0.0355 0.0749 0.2384
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0355 0.0749 1
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0914 0.3143 1
Plasmodium vivax 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0914 0.3143 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0355 0.0749 1
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0355 0.0749 1
Giardia lamblia CAMP-specific 3,5-cyclic phosphodiesterase 4B 0.018 0 0.5
Echinococcus multilocularis calcium:calmodulin dependent 3',5' cyclic 0.2516 1 1
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0355 0.0749 0.2384
Trypanosoma brucei cAMP-specific phosphodiesterase 0.0355 0.0749 0.2384
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0355 0.0749 1
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0244 0.0272 0.3632
Plasmodium falciparum phosphodiesterase gamma, putative 0.018 0 0.5
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0355 0.0749 0.2384
Echinococcus granulosus calcium:calmodulin dependent 3'5' cyclic 0.2516 1 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0355 0.0749 1
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0355 0.0749 1
Echinococcus granulosus calcium:calmodulin dependent 3'5' cyclic 0.0914 0.3143 0.3143
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0355 0.0749 1
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0914 0.3143 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0244 0.0272 0.3632
Trichomonas vaginalis conserved hypothetical protein 0.0355 0.0749 1
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0355 0.0749 1
Trypanosoma cruzi cAMP phosphodiesterase A, putative 0.0914 0.3143 1
Echinococcus multilocularis cAMP and cAMP inhibited cGMP 3',5' cyclic 0.0244 0.0272 0.0272
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0291 0.0477 0.6368
Echinococcus granulosus cAMP and cAMP inhibited cGMP 3'5' cyclic 0.0244 0.0272 0.0272
Giardia lamblia hypothetical protein 0.018 0 0.5
Leishmania major cAMP phosphodiesterase A, putative;with=GeneDB:LinJ18_V3.1100 0.0914 0.3143 1
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0291 0.0477 0.1518
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0355 0.0749 1
Echinococcus multilocularis dual 3',5' cyclic AMP and GMP phosphodiesterase 0.0355 0.0749 0.0749
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0355 0.0749 1
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0355 0.0749 1
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0355 0.0749 1
Schistosoma mansoni camp/cgmp cyclic nucleotide phosphodiesterase 0.0355 0.0749 0.0749
Trichomonas vaginalis cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative 0.0291 0.0477 0.6368
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0355 0.0749 1
Echinococcus multilocularis calcium:calmodulin dependent 3',5' cyclic 0.0914 0.3143 0.3143
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0355 0.0749 1
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.2374 0.9393 0.9393
Plasmodium falciparum phosphodiesterase delta, putative 0.018 0 0.5
Trypanosoma cruzi cAMP phosphodiesterase A, putative 0.0914 0.3143 1
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0355 0.0749 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0355 0.0749 1
Giardia lamblia Hypothetical protein 0.018 0 0.5
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0355 0.0749 0.2384
Schistosoma mansoni calcium/calmodulin-dependent 35-cyclic nucleotide phosphodiesterase 0.2516 1 1
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0244 0.0272 0.0272
Loa Loa (eye worm) hypothetical protein 0.2194 0.8623 0.8623
Trichomonas vaginalis cAMP/cGMP cyclic nucleotide phosphodiesterase, putative 0.0355 0.0749 1
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0355 0.0749 1
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0355 0.0749 1
Plasmodium falciparum 3',5'-cyclic nucleotide phosphodiesterase, putative 0.018 0 0.5
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0355 0.0749 1
Plasmodium falciparum cGMP-specific phosphodiesterase 0.018 0 0.5
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0355 0.0749 1
Loa Loa (eye worm) hypothetical protein 0.2374 0.9393 0.9393
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.0355 0.0749 1
Loa Loa (eye worm) PDE1B protein 0.2516 1 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0355 0.0749 1
Loa Loa (eye worm) hypothetical protein 0.0244 0.0272 0.0272
Plasmodium falciparum cGMP-specific phosphodiesterase 0.018 0 0.5
Schistosoma mansoni cgmp-dependent 35-cyclic phosphodiesterase 0.0244 0.0272 0.0272
Echinococcus granulosus dual 3'5' cyclic AMP and GMP phosphodiesterase 0.0355 0.0749 0.0749
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0355 0.0749 1
Trypanosoma brucei cAMP phosphodiesterase A, putative 0.0914 0.3143 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 2 nM Antagonist activity against human MCH1 receptor stably-expressed in CHO cells by Gal4/Elk1-Luc reporter assay ChEMBL. 17125263
IC50 (functional) = 2 nM Antagonist activity against human MCH1 receptor stably-expressed in CHO cells by Gal4/Elk1-Luc reporter assay ChEMBL. 17125263
pKa = 8.29 Dissociation constant, pKa of the compound ChEMBL. 17125263

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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