Detailed information for compound 42508

Basic information

Technical information
  • TDR Targets ID: 42508
  • Name: 2-butyl-N-(pyridin-4-ylmethyl)thieno[3,2-d]py rimidin-4-amine
  • MW: 298.406 | Formula: C16H18N4S
  • H donors: 1 H acceptors: 3 LogP: 3.78 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCc1nc(NCc2ccncc2)c2c(n1)ccs2
  • InChi: 1S/C16H18N4S/c1-2-3-4-14-19-13-7-10-21-15(13)16(20-14)18-11-12-5-8-17-9-6-12/h5-10H,2-4,11H2,1H3,(H,18,19,20)
  • InChiKey: IDXBSZYKVCPXDQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-butyl-N-(4-pyridylmethyl)thieno[3,2-d]pyrimidin-4-amine
  • 2-butyl-N-(4-pyridylmethyl)-4-thieno[3,2-d]pyrimidinamine
  • (2-butylthieno[3,2-d]pyrimidin-4-yl)-(4-pyridylmethyl)amine
  • 2-butyl-N-(pyridin-4-ylmethyl)thieno[2,3-e]pyrimidin-4-amine
  • 2-butyl-N-(4-pyridylmethyl)thieno[2,3-e]pyrimidin-4-amine
  • 2-butyl-N-(4-pyridylmethyl)-4-thieno[2,3-e]pyrimidinamine
  • (2-butylthieno[2,3-e]pyrimidin-4-yl)-(4-pyridylmethyl)amine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens phosphodiesterase 4D, cAMP-specific Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum IPR002073,3'5'-cyclic nucleotide phosphodiesterase,domain-containing Get druggable targets OG5_128242 All targets in OG5_128242
Brugia malayi Probable 3',5'-cyclic phosphodiesterase R153.1, putative Get druggable targets OG5_128242 All targets in OG5_128242
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128242 All targets in OG5_128242
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase Get druggable targets OG5_128242 All targets in OG5_128242
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase Get druggable targets OG5_128242 All targets in OG5_128242
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_128242 All targets in OG5_128242
Loa Loa (eye worm) cyclic AMP specific phosphodiesterase PDE4D5A Get druggable targets OG5_128242 All targets in OG5_128242
Schistosoma japonicum cAMP-specific 3',5'-cyclic phosphodiesterase, isoform F, putative Get druggable targets OG5_128242 All targets in OG5_128242
Schistosoma japonicum cAMP-specific 3',5'-cyclic phosphodiesterase 4D, putative Get druggable targets OG5_128242 All targets in OG5_128242
Schistosoma japonicum cAMP-specific 3',5'-cyclic phosphodiesterase 4D, putative Get druggable targets OG5_128242 All targets in OG5_128242
Neospora caninum cAMP-specific phosphodiesterase, putative Get druggable targets OG5_128242 All targets in OG5_128242
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein Get druggable targets OG5_128242 All targets in OG5_128242
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase Get druggable targets OG5_128242 All targets in OG5_128242
Giardia lamblia CAMP-specific 3,5-cyclic phosphodiesterase 4B Get druggable targets OG5_128242 All targets in OG5_128242
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase Get druggable targets OG5_128242 All targets in OG5_128242
Cryptosporidium parvum membrane associated HD superfamily cyclic nucleotide phosphodiesterase domain containing protein Get druggable targets OG5_128242 All targets in OG5_128242
Schistosoma japonicum cAMP-specific 3',5'-cyclic phosphodiesterase 4C, putative Get druggable targets OG5_128242 All targets in OG5_128242
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase Get druggable targets OG5_128242 All targets in OG5_128242
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase Get druggable targets OG5_128242 All targets in OG5_128242
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase Get druggable targets OG5_128242 All targets in OG5_128242
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 cAMP specific 3',5' cyclic phosphodiesterase 0.0112 0.0833 0.0833
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0112 0.0833 0.0833
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0035 0.0041 0.0041
Schistosoma mansoni cathepsin D (A01 family) 0.0435 0.417 0.417
Brugia malayi Eukaryotic aspartyl protease family protein 0.0035 0.0041 0.0195
Loa Loa (eye worm) hypothetical protein 0.0098 0.0689 0.0689
Entamoeba histolytica hypothetical protein, conserved 0.0098 0.0689 0.5
Schistosoma mansoni membrane-bound acyltransferase/hhat 0.0098 0.0689 0.0689
Loa Loa (eye worm) hypothetical protein 0.0098 0.0689 0.0689
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0098 0.0693 0.0693
Leishmania major glycerol uptake protein, putative 0.0098 0.0689 0.5
Toxoplasma gondii hypothetical protein 0.0098 0.0689 0.0787
Onchocerca volvulus 0.0039 0.0086 0.0694
Schistosoma mansoni leukocyte receptor cluster (lrc) member 4 protein 0.0098 0.0689 0.0689
Plasmodium falciparum plasmepsin VI 0.0148 0.1203 1
Echinococcus granulosus o acyltransferase membrane bound domain 0.0098 0.0689 0.0689
Loa Loa (eye worm) transcription factor SMAD2 0.0234 0.2096 0.2096
Trypanosoma cruzi GUP1, putative 0.0098 0.0689 0.5
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0098 0.0693 0.0693
Treponema pallidum alginate O-acetylation protein (algI) 0.0098 0.0689 0.5
Onchocerca volvulus 0.0039 0.0086 0.0694
Brugia malayi MBOAT family protein 0.0098 0.0689 0.3286
Loa Loa (eye worm) aspartic protease BmAsp-2 0.0148 0.1203 0.1203
Echinococcus granulosus cathepsin d lysosomal aspartyl protease 0.0148 0.1203 0.1203
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0035 0.0041 0.0041
Brugia malayi MBOAT family protein 0.0098 0.0689 0.3286
Echinococcus multilocularis Membrane bound O acyl transferase, MBOAT 0.0098 0.0689 0.0689
Toxoplasma gondii aspartyl proteinase (eimepsin), putative 0.0148 0.1203 0.1412
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0035 0.0041 0.0041
Loa Loa (eye worm) aspartyl protease 6 0.0035 0.0041 0.0041
Echinococcus granulosus Membrane bound O acyl transferase MBOAT 0.0098 0.0689 0.0689
Brugia malayi LBP / BPI / CETP family, C-terminal domain containing protein 0.0039 0.0086 0.0409
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0098 0.0689 0.0689
Leishmania major glycerol uptake protein, putative 0.0098 0.0689 0.5
Echinococcus granulosus lysophospholipid acyltransferase 7 0.0098 0.0689 0.0689
Trypanosoma cruzi glycerol uptake protein, putative 0.0098 0.0689 0.5
Schistosoma mansoni hypothetical protein 0.0067 0.037 0.037
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0098 0.0689 0.0689
Loa Loa (eye worm) MH2 domain-containing protein 0.0234 0.2096 0.2096
Loa Loa (eye worm) hypothetical protein 0.0098 0.0689 0.0689
Loa Loa (eye worm) hypothetical protein 0.0148 0.1203 0.1203
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0128 0.1007 0.1007
Brugia malayi aspartic protease BmAsp-1, identical 0.0035 0.0041 0.0195
Brugia malayi Calcitonin receptor-like protein seb-1 0.0098 0.0689 0.3289
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0098 0.0689 0.5
Toxoplasma gondii acyl-CoA:cholesterol acyltransferase alpha ACAT1-alpha 0.0098 0.0689 0.0787
Echinococcus multilocularis protein cysteine N palmitoyltransferase 0.0098 0.0689 0.0689
Echinococcus granulosus tm gpcr rhodopsin 0.052 0.5047 0.5047
Echinococcus granulosus protein cysteine N palmitoyltransferase 0.0098 0.0689 0.0689
Loa Loa (eye worm) MBOAT family protein 0.0098 0.0689 0.0689
Echinococcus granulosus membrane bound acyltransferase:hhat 0.0098 0.0689 0.0689
Echinococcus multilocularis lysophospholipid acyltransferase 7 0.0098 0.0689 0.0689
Brugia malayi hypothetical protein 0.0035 0.0041 0.0195
Loa Loa (eye worm) aspartic protease BmAsp-1 0.0035 0.0041 0.0041
Trypanosoma cruzi glycerol uptake protein, putative 0.0098 0.0689 0.5
Plasmodium vivax plasmepsin IV, putative 0.0148 0.1203 1
Echinococcus multilocularis diacylglycerol O acyltransferase 1 0.0098 0.0689 0.0689
Loa Loa (eye worm) hhat protein 0.0098 0.0689 0.0689
Loa Loa (eye worm) diacylglycerol acyltransferase 0.0098 0.0689 0.0689
Loa Loa (eye worm) MBOAT family protein 0.0098 0.0689 0.0689
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0098 0.0689 0.0689
Schistosoma mansoni cathepsin D (A01 family) 0.0435 0.417 0.417
Loa Loa (eye worm) hypothetical protein 0.0035 0.0041 0.0041
Loa Loa (eye worm) hypothetical protein 0.0902 0.8992 0.8992
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0098 0.0689 0.5
Plasmodium vivax diacylglycerol O-acyltransferase, putative 0.0098 0.0689 0.5573
Brugia malayi MH2 domain containing protein 0.0234 0.2096 1
Brugia malayi latrophilin 2 splice variant baaae 0.0067 0.037 0.1767
Plasmodium falciparum plasmepsin I 0.0148 0.1203 1
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0112 0.0833 0.0833
Trypanosoma brucei glycerol uptake protein, putative 0.0098 0.0689 0.5
Brugia malayi Pepsin A precursor 0.0035 0.0041 0.0195
Brugia malayi hypothetical protein 0.0035 0.0041 0.0195
Schistosoma mansoni memapsin-2 (A01 family) 0.0035 0.0041 0.0041
Entamoeba histolytica hypothetical protein 0.0098 0.0689 0.5
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.052 0.5047 0.5047
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0128 0.1007 0.1007
Toxoplasma gondii acyl-CoA:diacylglycerol acyltransferase 1-related enzyme 0.0098 0.0689 0.0787
Toxoplasma gondii aspartyl protease ASP1 0.0148 0.1203 0.1412
Loa Loa (eye worm) membrane bound O-acyltransferase domain containing 1 0.0098 0.0689 0.0689
Echinococcus multilocularis membrane bound acyltransferase:hhat 0.0098 0.0689 0.0689
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0128 0.1007 0.1007
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0098 0.0689 0.0689
Echinococcus granulosus o acyltransferase membrane bound domain 0.0098 0.0689 0.0689
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0098 0.0689 0.5
Echinococcus granulosus o acyltransferase membrane bound domain 0.0098 0.0689 0.0689
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0112 0.0833 0.0961
Onchocerca volvulus 0.0039 0.0086 0.0694
Loa Loa (eye worm) LBP/BPI/CETP family domain-containing protein 0.0039 0.0086 0.0086
Loa Loa (eye worm) hypothetical protein 0.0098 0.0689 0.0689
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0148 0.1203 0.1203
Loa Loa (eye worm) hypothetical protein 0.0067 0.037 0.037
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0098 0.0689 0.0689
Onchocerca volvulus 0.0039 0.0086 0.0694
Brugia malayi MBOAT family protein 0.0098 0.0689 0.3286
Leishmania major glycerol uptake protein, putative 0.0098 0.0689 0.5
Trypanosoma cruzi GUP1, putative 0.0098 0.0689 0.5
Loa Loa (eye worm) cyclic AMP specific phosphodiesterase PDE4D5A 0.0098 0.0693 0.0693
Plasmodium falciparum diacylglycerol O-acyltransferase 0.0098 0.0689 0.5573
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0098 0.0689 0.3289
Brugia malayi MBOAT family protein 0.0098 0.0689 0.3286
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0098 0.0689 0.0689
Loa Loa (eye worm) hypothetical protein 0.0112 0.0833 0.0833
Giardia lamblia CAMP-specific 3,5-cyclic phosphodiesterase 4B 0.0112 0.0833 0.5
Schistosoma mansoni diacylglycerol O-acyltransferase 1 0.0098 0.0689 0.0689
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0128 0.1007 0.4802
Onchocerca volvulus 0.0039 0.0086 0.0694
Trypanosoma brucei glycerol uptake protein, putative 0.0098 0.0689 0.5
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0128 0.1007 0.1007
Loa Loa (eye worm) MBOAT family protein 0.0098 0.0689 0.0689
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0128 0.1007 0.1007
Brugia malayi Hhat protein 0.0098 0.0689 0.3286
Brugia malayi LBP / BPI / CETP family, N-terminal domain containing protein 0.0039 0.0086 0.0409
Brugia malayi LBP / BPI / CETP family, N-terminal domain containing protein 0.0039 0.0086 0.0409
Brugia malayi diacylglycerol acyltransferase 0.0098 0.0689 0.3286
Entamoeba histolytica vacuolar protein sorting 26 0.0098 0.0689 0.5
Leishmania major hypothetical protein, conserved 0.0098 0.0689 0.5
Leishmania major glycerol uptake protein, putative 0.0098 0.0689 0.5
Schistosoma mansoni protein tyrosine phosphatase n11 (shp2) 0.0128 0.1007 0.1007
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0112 0.0833 0.0833
Trypanosoma cruzi glycerol uptake protein, putative 0.0098 0.0689 0.5
Brugia malayi MBOAT family protein 0.0098 0.0689 0.3286
Onchocerca volvulus 0.0039 0.0086 0.0694
Brugia malayi Probable 3',5'-cyclic phosphodiesterase R153.1, putative 0.0098 0.0693 0.3304
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0035 0.0041 0.0041
Onchocerca volvulus 0.0098 0.0689 1
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0035 0.0041 0.0041
Plasmodium falciparum plasmepsin IV 0.0148 0.1203 1
Onchocerca volvulus 0.0039 0.0086 0.0694
Loa Loa (eye worm) hypothetical protein 0.0035 0.0041 0.0041
Schistosoma mansoni sterol O-acyltransferase 1 0.1 1 1
Toxoplasma gondii 1,3-beta-glucan synthase component protein 0.0833 0.8277 1
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0035 0.0041 0.0041
Echinococcus granulosus diacylglycerol O acyltransferase 1 0.0098 0.0689 0.0689
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) 0.0148 0.1203 0.1203
Brugia malayi aspartic protease BmAsp-2, identical 0.0035 0.0041 0.0195
Loa Loa (eye worm) hhat protein 0.0098 0.0689 0.0689
Schistosoma mansoni zinc finger protein 0.0098 0.0689 0.0689
Loa Loa (eye worm) hypothetical protein 0.0039 0.0086 0.0086
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0112 0.0833 0.0833
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0035 0.0041 0.0041
Trichomonas vaginalis Clan AA, family A1, cathepsin D-like aspartic peptidase 0.0148 0.1203 1
Schistosoma mansoni hypothetical protein 0.0098 0.0689 0.0689
Plasmodium vivax aspartyl proteinase, putative 0.0148 0.1203 1
Onchocerca volvulus 0.0039 0.0086 0.0694
Leishmania major glycerol uptake protein, putative 0.0098 0.0689 0.5
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0035 0.0041 0.0041
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0098 0.0689 0.0689
Loa Loa (eye worm) hypothetical protein 0.1 1 1
Echinococcus multilocularis sterol O acyltransferase 1 0.1 1 1
Plasmodium falciparum plasmepsin II 0.0148 0.1203 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) 0 uM Displacement of [3H]-rolipram from Phosphodiesterase 4 in rat brain membranes (not tested) ChEMBL. 9767640
IC50 (binding) = 0.6 uM Inhibitory activity against phosphodiesterase 4 isolated from guinea pig ventricular tissue ChEMBL. 9767640
IC50 (binding) = 0.6 uM Inhibitory activity against (PDE IV) phosphodiesterase IV in guinea pig articular tissue ChEMBL. 12668000
IC50 (binding) = 0.6 uM Inhibitory activity against phosphodiesterase 4 isolated from guinea pig ventricular tissue ChEMBL. 9767640
IC50 (binding) = 0.6 uM Inhibitory activity against (PDE IV) phosphodiesterase IV in guinea pig articular tissue ChEMBL. 12668000
IC50 (binding) = 29 uM Inhibitory activity against cGMP inhibited Phosphodiesterase 3, isolated from guinea pig ventricular tissue ChEMBL. 9767640
IC50 (binding) = 29 uM Inhibitory activity against cGMP inhibited Phosphodiesterase 3, isolated from guinea pig ventricular tissue ChEMBL. 9767640

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

2 literature references were collected for this gene.

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