Detailed information for compound 1298739

Basic information

Technical information
  • TDR Targets ID: 1298739
  • Name: N-(4-fluorophenyl)-2-[3-(furan-2-ylmethyl)-5- methyl-7-oxo-2-sulfanylidene-[1,3]thiazolo[4, 5-d]pyrimidin-6-yl]acetamide
  • MW: 430.476 | Formula: C19H15FN4O3S2
  • H donors: 1 H acceptors: 2 LogP: 2.01 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Cn1c(C)nc2c(c1=O)sc(=S)n2Cc1ccco1)Nc1ccc(cc1)F
  • InChi: 1S/C19H15FN4O3S2/c1-11-21-17-16(29-19(28)24(17)9-14-3-2-8-27-14)18(26)23(11)10-15(25)22-13-6-4-12(20)5-7-13/h2-8H,9-10H2,1H3,(H,22,25)
  • InChiKey: JUAIZEVDDOUPOL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(4-fluorophenyl)-2-[3-(2-furylmethyl)-5-methyl-7-oxo-2-thioxo-thiazolo[4,5-d]pyrimidin-6-yl]acetamide
  • N-(4-fluorophenyl)-2-[3-(2-furylmethyl)-5-methyl-7-oxo-2-thioxo-6-thiazolo[4,5-d]pyrimidinyl]acetamide
  • N-(4-fluorophenyl)-2-[3-(2-furylmethyl)-7-keto-5-methyl-2-thioxo-thiazolo[4,5-d]pyrimidin-6-yl]acetamide
  • N-(4-fluorophenyl)-2-[3-(furan-2-ylmethyl)-5-methyl-7-oxo-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]ethanamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens parathyroid hormone 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K04588 secretin receptor, putative Get druggable targets OG5_139196 All targets in OG5_139196
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) nucleolar RNA-associated protein alpha 0.0301 1 1
Trichomonas vaginalis set domain proteins, putative 0.0235 0.7653 1
Echinococcus granulosus importin subunit beta 1 0.0028 0.0266 0.0266
Loa Loa (eye worm) hypothetical protein 0.0028 0.0266 0.0266
Plasmodium vivax SET domain protein, putative 0.003 0.0317 0.4752
Echinococcus multilocularis snurportin 1 0.0301 1 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.0668 0.0668
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0039 0.0668 0.5
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0317 0.0317
Entamoeba histolytica hypothetical protein 0.022 0.7128 1
Brugia malayi hypothetical protein 0.022 0.7128 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0278 0.0278
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0317 0.0317
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1409 0.1977
Trichomonas vaginalis penicillin-binding protein, putative 0.0039 0.0668 0.0872
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0266 0.3979
Schistosoma mansoni hypothetical protein 0.0171 0.5366 0.5366
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.0075 0.1129
Mycobacterium ulcerans esterase/lipase LipP 0.0039 0.0668 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1409 0.1977
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.0668 0.0872
Brugia malayi Pre-SET motif family protein 0.003 0.0317 0.0445
Loa Loa (eye worm) hypothetical protein 0.0039 0.0668 0.0668
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0668 1
Echinococcus granulosus geminin 0.0171 0.5366 0.5366
Echinococcus multilocularis importin subunit beta 1 0.0028 0.0266 0.0266
Loa Loa (eye worm) hypothetical protein 0.0039 0.0668 0.0668
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0207 0.6634 0.6634
Echinococcus multilocularis tar DNA binding protein 0.0066 0.1615 0.1615
Schistosoma mansoni tar DNA-binding protein 0.0066 0.1615 0.1615
Schistosoma mansoni tar DNA-binding protein 0.0066 0.1615 0.1615
Entamoeba histolytica hypothetical protein 0.022 0.7128 1
Trichomonas vaginalis importin beta-1, putative 0.0023 0.0075 0.0098
Schistosoma mansoni hypothetical protein 0.0041 0.0729 0.0729
Onchocerca volvulus 0.0039 0.0668 0.0478
Brugia malayi RNA, U transporter 1 0.008 0.2121 0.2975
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0729 0.1023
Schistosoma mansoni transcription factor LCR-F1 0.022 0.7128 0.7128
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0317 0.0317
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0317 0.0317
Loa Loa (eye worm) RNA binding protein 0.0066 0.1615 0.1615
Toxoplasma gondii ABC1 family protein 0.0039 0.0668 1
Schistosoma mansoni hypothetical protein 0.0301 1 1
Loa Loa (eye worm) beta-lactamase 0.0039 0.0668 0.0668
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0317 0.0317
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0075 0.0098
Schistosoma mansoni tar DNA-binding protein 0.0066 0.1615 0.1615
Trichomonas vaginalis penicillin-binding protein, putative 0.0039 0.0668 0.0872
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0266 0.3979
Leishmania major importin beta-1 subunit, putative 0.0023 0.0075 0.1129
Entamoeba histolytica hypothetical protein 0.0023 0.0075 0.0106
Loa Loa (eye worm) TAR-binding protein 0.0066 0.1615 0.1615
Echinococcus multilocularis geminin 0.0171 0.5366 0.5366
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.022 0.7128 0.7128
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0039 0.0668 0.0668
Mycobacterium ulcerans lipase LipD 0.0039 0.0668 0.5
Schistosoma mansoni hypothetical protein 0.0171 0.5366 0.5366
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0252 0.8256 1
Mycobacterium leprae conserved hypothetical protein 0.0039 0.0668 0.5
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0039 0.0668 0.0937
Mycobacterium leprae Probable lipase LipE 0.0039 0.0668 0.5
Brugia malayi RNA binding protein 0.0066 0.1615 0.2266
Leishmania major hypothetical protein, conserved 0.0039 0.0668 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0066 0.1615 0.1615
Trypanosoma brucei hypothetical protein, conserved 0.0039 0.0668 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1409 0.1409
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0021 0 0.5
Brugia malayi beta-lactamase 0.0039 0.0668 0.0937
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0039 0.0668 0.0668
Echinococcus multilocularis beta LACTamase domain containing family member 0.0039 0.0668 0.0668
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0039 0.0668 0.0668
Echinococcus granulosus beta LACTamase domain containing family member 0.0039 0.0668 0.0668
Brugia malayi RNA recognition motif domain containing protein 0.0066 0.1615 0.2266
Plasmodium vivax importin-beta 2, putative 0.0028 0.0266 0.3979
Loa Loa (eye worm) hypothetical protein 0.006 0.1409 0.1409
Brugia malayi Importin beta-1 subunit 0.0028 0.0266 0.0373
Entamoeba histolytica hypothetical protein 0.022 0.7128 1
Plasmodium vivax hypothetical protein, conserved 0.0039 0.0668 1
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0668 1
Brugia malayi beta-lactamase family protein 0.0039 0.0668 0.0937
Onchocerca volvulus 0.0039 0.0668 0.0478
Brugia malayi Pre-SET motif family protein 0.0207 0.6634 0.9307
Schistosoma mansoni hypothetical protein 0.022 0.7128 0.7128
Mycobacterium ulcerans beta-lactamase 0.0039 0.0668 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0317 0.0317
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0075 0.0098
Schistosoma mansoni tar DNA-binding protein 0.0066 0.1615 0.1615
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0317 0.0317
Brugia malayi beta-lactamase family protein 0.0039 0.0668 0.0937
Trichomonas vaginalis esterase, putative 0.0039 0.0668 0.0872
Loa Loa (eye worm) hypothetical protein 0.0041 0.0729 0.0729
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0317 0.4752
Onchocerca volvulus 0.0235 0.7653 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.0668 0.0668
Onchocerca volvulus 0.0039 0.0668 0.0478
Schistosoma mansoni importin beta-1 0.0028 0.0266 0.0266
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.0668 0.0872
Toxoplasma gondii HEAT repeat-containing protein 0.0028 0.0266 0.3979
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.022 0.7128 0.7128
Schistosoma mansoni tar DNA-binding protein 0.0066 0.1615 0.1615
Loa Loa (eye worm) hypothetical protein 0.0039 0.0668 0.0668
Loa Loa (eye worm) hypothetical protein 0.003 0.0317 0.0317
Brugia malayi TAR-binding protein 0.0066 0.1615 0.2266
Loa Loa (eye worm) hypothetical protein 0.0039 0.0668 0.0668
Mycobacterium ulcerans hypothetical protein 0.0039 0.0668 0.5
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.0668 0.0872
Plasmodium falciparum importin beta, putative 0.0028 0.0266 1
Echinococcus granulosus tar DNA binding protein 0.0066 0.1615 0.1615
Entamoeba histolytica hypothetical protein 0.022 0.7128 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 9.285 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 14.1254 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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