Detailed information for compound 1329586

Basic information

Technical information
  • TDR Targets ID: 1329586
  • Name: N,N,4-trimethyl-6-[(5-methylsulfanyl-1,3,4-ox adiazol-2-yl)methylsulfanyl]pyrimidin-2-amine
  • MW: 297.4 | Formula: C11H15N5OS2
  • H donors: 0 H acceptors: 4 LogP: 2.11 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CSc1nnc(o1)CSc1cc(C)nc(n1)N(C)C
  • InChi: 1S/C11H15N5OS2/c1-7-5-9(13-10(12-7)16(2)3)19-6-8-14-15-11(17-8)18-4/h5H,6H2,1-4H3
  • InChiKey: UURAIUXOVVUCKD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N,N,4-trimethyl-6-[[5-(methylthio)-1,3,4-oxadiazol-2-yl]methylthio]-2-pyrimidinamine
  • dimethyl-[4-methyl-6-[[5-(methylthio)-1,3,4-oxadiazol-2-yl]methylthio]pyrimidin-2-yl]amine
  • ZINC08383074
  • MLS000703804
  • N,N,4-trimethyl-6-({[5-(methylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl}sulfanyl)pyrimidin-2-amine
  • SMR000229750
  • Oprea1_685788

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens vitamin D (1,25- dihydroxyvitamin D3) receptor Starlite/ChEMBL No 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
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi steroid hormone receptor vitamin D (1,25- dihydroxyvitamin D3) receptor 427 aa 416 aa 24.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni Smad4 0.0025 0.0077 0.0104
Schistosoma mansoni carbonic anhydrase-related 0.0284 0.2101 0.2839
Echinococcus multilocularis cysteine protease 0.0017 0.0021 0.0036
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0766 0.5852 1
Wolbachia endosymbiont of Brugia malayi bacterioferritin/cytochrome b1 0.0018 0.0022 0.5
Brugia malayi Latrophilin receptor protein 2 0.0048 0.0261 0.0446
Loa Loa (eye worm) latrophilin receptor protein 2 0.0048 0.0261 0.0444
Loa Loa (eye worm) hypothetical protein 0.0152 0.1072 0.1831
Brugia malayi MH2 domain containing protein 0.0362 0.2703 0.4618
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0017 0.0021 0.0036
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0048 0.0261 0.0446
Schistosoma mansoni retinoblastoma-binding protein 4 (rbbp4) 0.0015 0.0001 0.0001
Echinococcus granulosus mothers against decapentaplegic 5 0.0025 0.0077 0.0132
Schistosoma mansoni carbonic anhydrase-related 0.0284 0.2101 0.2839
Schistosoma mansoni cathepsin F (C01 family) 0.0017 0.0021 0.0028
Schistosoma mansoni apoferritin-2 0.0018 0.0022 0.003
Brugia malayi MH2 domain containing protein 0.0025 0.0077 0.0132
Echinococcus multilocularis cathepsin L cysteine protease 0.0017 0.0021 0.0036
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0766 0.5852 1
Schistosoma mansoni ferritin 0.0018 0.0022 0.003
Echinococcus multilocularis expressed protein 0.0018 0.0022 0.0037
Echinococcus multilocularis cathepsin L cysteine protease 0.0017 0.0021 0.0036
Brugia malayi Calcitonin receptor-like protein seb-1 0.0152 0.1072 0.1832
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0048 0.0261 0.0446
Loa Loa (eye worm) fibroinase 0.0017 0.0021 0.0034
Echinococcus granulosus expressed protein 0.0018 0.0022 0.0037
Loa Loa (eye worm) hypothetical protein 0.0102 0.0678 0.1156
Echinococcus multilocularis GPCR, family 2 0.0048 0.0261 0.0446
Loa Loa (eye worm) carbonic anhydrase 3 0.0766 0.5852 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0025 0.0077 0.013
Echinococcus multilocularis smad 0.0025 0.0077 0.0132
Mycobacterium tuberculosis Beta-carbonic anhydrase CanB 0.0662 0.5044 0.659
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0766 0.5852 1
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0025 0.0077 0.0104
Brugia malayi MH1 domain containing protein 0.0025 0.0077 0.0132
Brugia malayi Cathepsin L-like precursor 0.0017 0.0021 0.0036
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0284 0.2101 0.3589
Schistosoma mansoni ferritin 0.0018 0.0022 0.003
Echinococcus granulosus Smad4 0.0025 0.0077 0.0132
Loa Loa (eye worm) transcription factor SMAD2 0.0362 0.2703 0.4617
Brugia malayi Cathepsin L-like precursor 0.0017 0.0021 0.0036
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0766 0.5852 1
Echinococcus multilocularis carbonic anhydrase 0.0284 0.2101 0.359
Treponema pallidum bacterioferrin (TpF1) 0.0018 0.0022 0.5
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.006 0.0357 0.0576
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0152 0.1072 0.1831
Echinococcus multilocularis cysteine protease 0.0017 0.0021 0.0036
Loa Loa (eye worm) cysteine protease 0.0017 0.0021 0.0034
Echinococcus granulosus TGF beta signal transducer SmadC 0.0025 0.0077 0.0132
Echinococcus granulosus GPCR family 2 0.0048 0.0261 0.0446
Leishmania major cathepsin L-like protease 0.0066 0.0401 0.0516
Brugia malayi Papain family cysteine protease containing protein 0.0017 0.0021 0.0036
Echinococcus granulosus cathepsin l1 0.0017 0.0021 0.0036
Echinococcus granulosus carbonic anhydrase 0.0284 0.2101 0.359
Echinococcus multilocularis Smad4 0.0025 0.0077 0.0132
Schistosoma mansoni smad1 5 8 and 0.0025 0.0077 0.0104
Schistosoma mansoni hypothetical protein 0.0048 0.0261 0.0353
Loa Loa (eye worm) ctsf protein 0.0017 0.0021 0.0034
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0025 0.0077 0.0132
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0017 0.0021 0.0034
Trypanosoma cruzi major cysteine proteinase, putative 0.0052 0.0291 0.0463
Loa Loa (eye worm) hypothetical protein 0.0284 0.2101 0.3589
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0284 0.2101 0.359
Trypanosoma cruzi cysteine peptidase, putative 0.0066 0.0401 0.0653
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0152 0.1072 0.1832
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0048 0.0261 0.0446
Echinococcus granulosus carbonic anhydrase 0.0284 0.2101 0.359
Echinococcus granulosus cathepsin l cysteine peptidase 0.0017 0.0021 0.0036
Echinococcus granulosus smad 0.0025 0.0077 0.0132
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0017 0.0021 0.0034
Plasmodium vivax vivapain-2 0.0017 0.0021 0.5
Toxoplasma gondii hypothetical protein 0.0284 0.2101 1
Schistosoma mansoni smad 0.0025 0.0077 0.0104
Echinococcus granulosus carbonic anhydrase II 0.0766 0.5852 1
Mycobacterium ulcerans carbonic anhydrase 0.0965 0.7402 0.7396
Schistosoma mansoni smad1 5 8 and 0.0025 0.0077 0.0104
Onchocerca volvulus 0.0102 0.0678 1
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0075 0.0473 0.0807
Brugia malayi latrophilin 2 splice variant baaae 0.0104 0.0697 0.1191
Trichomonas vaginalis ferritin, putative 0.0018 0.0022 0.0001
Trypanosoma cruzi cysteine peptidase, putative 0.0066 0.0401 0.0653
Schistosoma mansoni cathepsin F (C01 family) 0.0017 0.0021 0.0028
Brugia malayi Cathepsin L-like precursor 0.0017 0.0021 0.0036
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0017 0.0021 0.0036
Mycobacterium leprae CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) 0.0965 0.7402 1
Trypanosoma cruzi cruzipain precursor, putative 0.0066 0.0401 0.0653
Loa Loa (eye worm) hypothetical protein 0.0284 0.2101 0.3589
Echinococcus multilocularis tumor protein p63 0.0695 0.5299 0.9054
Echinococcus granulosus tumor protein p63 0.0695 0.5299 0.9054
Schistosoma mansoni carbonic anhydrase-related 0.0284 0.2101 0.2839
Echinococcus granulosus cathepsin L cysteine proteinase 0.0017 0.0021 0.0036
Schistosoma mansoni hypothetical protein 0.0104 0.0697 0.0941
Trichomonas vaginalis conserved hypothetical protein 0.1298 1 1
Leishmania major cathepsin L-like protease 0.0066 0.0401 0.0516
Echinococcus granulosus microtubule associated protein 2 0.0678 0.5166 0.8828
Echinococcus multilocularis carbonic anhydrase 0.0284 0.2101 0.359
Echinococcus granulosus Ankyrin 0.0015 0.0001 0.0002
Leishmania major carbonic anhydrase-like protein 0.0766 0.5852 0.7901
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0284 0.2101 0.359
Trypanosoma cruzi cysteine peptidase, putative 0.0066 0.0401 0.0653
Brugia malayi Smad1 0.0025 0.0077 0.0132
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0048 0.0261 0.0446
Schistosoma mansoni hypothetical protein 0.0284 0.2101 0.2839
Mycobacterium tuberculosis Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase) 0.0303 0.2243 0.2915
Schistosoma mansoni ferritin light chain 0.0018 0.0022 0.003
Schistosoma mansoni hypothetical protein 0.0048 0.0261 0.0353
Schistosoma mansoni ferritin 0.0018 0.0022 0.003
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0284 0.2101 0.359
Brugia malayi MH1 domain containing protein 0.0025 0.0077 0.0132
Schistosoma mansoni apoferritin-2 0.0018 0.0022 0.003
Brugia malayi Cathepsin L-like precursor 0.0017 0.0021 0.0036
Schistosoma mansoni hypothetical protein 0.0048 0.0261 0.0353
Leishmania major cathepsin L-like protease 0.0066 0.0401 0.0516
Echinococcus granulosus ferritin 0.0018 0.0022 0.0037
Trypanosoma brucei carbonic anhydrase-like protein 0.0766 0.5852 1
Schistosoma mansoni ferritin light chain 0.0018 0.0022 0.003
Loa Loa (eye worm) hypothetical protein 0.0017 0.0021 0.0034
Echinococcus multilocularis carbonic anhydrase II 0.0766 0.5852 1
Brugia malayi MH2 domain containing protein 0.0025 0.0077 0.0132
Echinococcus multilocularis ferritin 0.0018 0.0022 0.0037
Echinococcus multilocularis Ankyrin 0.0015 0.0001 0.0002
Trichomonas vaginalis conserved hypothetical protein 0.1298 1 1
Leishmania major carbonic anhydrase family protein, putative 0.0965 0.7402 1
Entamoeba histolytica carbonic anhydrase, putative 0.0965 0.7402 1
Schistosoma mansoni cellular tumor antigen P53 0.0102 0.0678 0.0916
Echinococcus multilocularis mothers against decapentaplegic 5 0.0025 0.0077 0.0132
Loa Loa (eye worm) hypothetical protein 0.0284 0.2101 0.3589
Echinococcus multilocularis microtubule associated protein 2 0.0678 0.5166 0.8828
Mycobacterium tuberculosis Beta-carbonic anhydrase 0.0996 0.7642 1
Echinococcus multilocularis carbonic anhydrase 0.0284 0.2101 0.359
Loa Loa (eye worm) hypothetical protein 0.0104 0.0697 0.1189
Schistosoma mansoni hypothetical protein 0.0048 0.0261 0.0353
Echinococcus granulosus carbonic anhydrase 0.0284 0.2101 0.359
Echinococcus granulosus nuclear factor of activated T cells 5 0.0075 0.0473 0.0807
Schistosoma mansoni smad1 5 8 and 0.0025 0.0077 0.0104
Schistosoma mansoni carbonic anhydrase 0.0284 0.2101 0.2839
Plasmodium falciparum carbonic anhydrase 0.0284 0.2101 1
Schistosoma mansoni carbonic anhydrase 0.0965 0.7402 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.0261 0.0444
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0766 0.5852 0.7907
Plasmodium vivax vivapain-2 0.0017 0.0021 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0362 0.2703 0.4617
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0766 0.5852 0.7907
Brugia malayi Cathepsin L-like precursor 0.0017 0.0021 0.0036
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0284 0.2101 0.359
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0048 0.0261 0.0446
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0766 0.5852 1
Loa Loa (eye worm) Smad1 0.0025 0.0077 0.013
Brugia malayi Cathepsin L-like precursor 0.0017 0.0021 0.0036
Schistosoma mansoni ferritin 0.0018 0.0022 0.003
Loa Loa (eye worm) MH1 domain-containing protein 0.0025 0.0077 0.013
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0284 0.2101 0.359
Schistosoma mansoni microtubule-associated protein tau 0.0678 0.5166 0.698

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 15.8489 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: Inhibitors of TCP-1 ring complex (TRiC) of Methanococcus maripaludis (MmCpn): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488991] ChEMBL. No reference

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

No literature references available for this target.

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