Detailed information for compound 1489995

Basic information

Technical information
  • TDR Targets ID: 1489995
  • Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[(5-butyl -1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
  • MW: 354.494 | Formula: C14H22N6OS2
  • H donors: 2 H acceptors: 5 LogP: 3.97 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCc1nnc(s1)NC(=O)CSc1[nH]nc(n1)CCCC
  • InChi: 1S/C14H22N6OS2/c1-3-5-7-10-15-13(19-17-10)22-9-11(21)16-14-20-18-12(23-14)8-6-4-2/h3-9H2,1-2H3,(H,15,17,19)(H,16,20,21)
  • InChiKey: QYWZMHUOJVSLFZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[(5-butyl-1H-1,2,4-triazol-3-yl)thio]acetamide
  • N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[(5-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide
  • MLS000664879
  • N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[(5-butyl-4H-1,2,4-triazol-3-yl)thio]acetamide
  • SMR000294833
  • STK211733
  • ZINC02861827

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens K(lysine) acetyltransferase 2A Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium yoelii histone acetyltransferase GCN5-related Get druggable targets OG5_127781 All targets in OG5_127781
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma japonicum ko:K06062 p300/CBP-associated factor, putative Get druggable targets OG5_127781 All targets in OG5_127781
Loa Loa (eye worm) acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium berghei histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Toxoplasma gondii histone lysine acetyltransferase GCN5-A Get druggable targets OG5_127781 All targets in OG5_127781
Toxoplasma gondii histone lysine acetyltransferase GCN5-B Get druggable targets OG5_127781 All targets in OG5_127781
Cryptosporidium hominis histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Babesia bovis histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium knowlesi histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Giardia lamblia Histone acetyltransferase GCN5 Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi acetyltransferase, GNAT family protein Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus granulosus histone acetyltransferase KAT2B Get druggable targets OG5_127781 All targets in OG5_127781
Cryptosporidium parvum GCN5 like acetylase + bromodomain Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus granulosus histone acetyltransferase KAT2B Get druggable targets OG5_127781 All targets in OG5_127781
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Neospora caninum Bromodomain containing protein, related Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium vivax histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Neospora caninum hypothetical protein Get druggable targets OG5_127781 All targets in OG5_127781
Theileria parva histone acetyltransferase Gcn5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium falciparum histone acetyltransferase GCN5 Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 Get druggable targets OG5_127781 All targets in OG5_127781
Trichomonas vaginalis bromodomain-containing protein, putative Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Entamoeba histolytica acetyltransferase, GNAT family Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0045 0.0331 0.0523
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0045 0.0331 0.1413
Brugia malayi Apoptosis regulator proteins, Bcl-2 family protein 0.0053 0.0457 0.1947
Toxoplasma gondii PAN domain-containing protein 0.0286 0.4065 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0045 0.0331 0.0331
Brugia malayi photoreceptor-specific nuclear receptor 0.0045 0.0331 0.1413
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0045 0.0331 0.1413
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0486 0.2073
Loa Loa (eye worm) hypothetical protein 0.0045 0.0331 0.1413
Loa Loa (eye worm) hypothetical protein 0.0045 0.0331 0.1413
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0045 0.0331 0.0331
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0045 0.0331 0.0331
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0045 0.0331 0.0523
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0045 0.0331 0.1413
Echinococcus multilocularis EGFP:Bcl2 fusion protein 0.0668 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0045 0.0331 0.1413
Brugia malayi Nuclear hormone receptor-like 1 0.0045 0.0331 0.1413
Echinococcus granulosus ecdysone induced protein 78C 0.0045 0.0331 0.0331
Loa Loa (eye worm) hypothetical protein 0.0045 0.0331 0.1413
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0045 0.0331 0.0331
Loa Loa (eye worm) hypothetical protein 0.0045 0.0331 0.1413
Echinococcus multilocularis thyroid hormone receptor alpha 0.0045 0.0331 0.0331
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0486 0.0767
Schistosoma mansoni serine-type protease inhibitor 0.0432 0.6343 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0045 0.0331 0.1413
Echinococcus multilocularis FTZ F1 alpha 0.0045 0.0331 0.0331
Loa Loa (eye worm) steroid hormone receptor 0.0045 0.0331 0.1413
Brugia malayi nuclear receptor NHR-88 0.0045 0.0331 0.1413
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0045 0.0331 0.0523
Echinococcus multilocularis ecdysone induced protein 78C 0.0045 0.0331 0.0331
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0045 0.0331 0.1413
Onchocerca volvulus 0.0045 0.0331 0.5
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0045 0.0331 0.0331
Brugia malayi acetyltransferase, GNAT family protein 0.0175 0.2346 1
Loa Loa (eye worm) hypothetical protein 0.0045 0.0331 0.1413
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0045 0.0331 0.5
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0045 0.0331 0.0331
Loa Loa (eye worm) hypothetical protein 0.0045 0.0331 0.1413
Schistosoma mansoni apoptosis regulator bax 0.0053 0.0457 0.072
Schistosoma mansoni hypothetical protein 0.0053 0.0457 0.072
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0045 0.0331 0.0523
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0045 0.0331 0.1413
Brugia malayi nuclear hormone receptor 0.0045 0.0331 0.1413
Schistosoma mansoni bcl-2 homologous antagonist/killer (bak) 0.0053 0.0457 0.072
Schistosoma mansoni thyroid hormone receptor 0.0045 0.0331 0.0523
Schistosoma mansoni nuclear hormone receptor 0.0045 0.0331 0.0523
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0045 0.0331 0.0331
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0045 0.0331 0.0523
Schistosoma mansoni steroid hormone receptor ad4bp 0.0045 0.0331 0.0523
Echinococcus granulosus histone acetyltransferase KAT2B 0.0051 0.0428 0.0428
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0045 0.0331 0.1413
Schistosoma mansoni hypothetical protein 0.0053 0.0457 0.072
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0486 0.0767
Schistosoma mansoni retinoic acid receptor RXR 0.0045 0.0331 0.0523
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0045 0.0331 0.1413
Echinococcus multilocularis Bcl 2 ous antagonist:killer 0.0053 0.0457 0.0457
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0045 0.0331 0.1413
Toxoplasma gondii PAN domain-containing protein 0.0286 0.4065 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.0457 0.1947
Schistosoma mansoni RAR-like nuclear receptor 0.0045 0.0331 0.0523
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0045 0.0331 0.0331
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0045 0.0331 0.1413
Loa Loa (eye worm) hypothetical protein 0.0045 0.0331 0.1413
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0486 0.0486
Echinococcus granulosus FTZ F1 alpha 0.0045 0.0331 0.0331
Loa Loa (eye worm) apoptosis regulator protein 0.0053 0.0457 0.1947
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0045 0.0331 0.1413
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0045 0.0331 0.0331
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0045 0.0331 0.1413
Entamoeba histolytica acetyltransferase, GNAT family 0.0047 0.0361 0.5
Trichomonas vaginalis bromodomain-containing protein, putative 0.0051 0.0428 0.5
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0045 0.0331 0.0331
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0045 0.0331 0.0331
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0045 0.0331 0.1413
Loa Loa (eye worm) acetyltransferase 0.0175 0.2346 1
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0175 0.2346 0.3699
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0045 0.0331 0.1413
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0486 0.0486
Schistosoma mansoni hypothetical protein 0.0053 0.0457 0.072
Onchocerca volvulus Bile acid receptor homolog 0.0045 0.0331 0.5
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0486 0.2073
Echinococcus granulosus histone acetyltransferase KAT2B 0.017 0.227 0.227
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0045 0.0331 0.0523
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0045 0.0331 0.0331
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0045 0.0331 0.1413
Brugia malayi Steroid receptor seven-up type 2 0.0045 0.0331 0.1413
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0175 0.2346 0.2346
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0045 0.0331 0.1413
Schistosoma mansoni serine-type protease inhibitor 0.0432 0.6343 1
Brugia malayi ecdysteroid receptor 0.0045 0.0331 0.1413
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0486 0.0486
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0486 0.0486
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0045 0.0331 0.1413
Onchocerca volvulus Protein ultraspiracle homolog 0.0045 0.0331 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0045 0.0331 0.1413
Giardia lamblia Histone acetyltransferase GCN5 0.0047 0.0361 0.5
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0051 0.0428 0.5
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0051 0.0428 0.5
Schistosoma mansoni coup transcription factor 0.0045 0.0331 0.0523
Plasmodium falciparum histone acetyltransferase GCN5 0.0047 0.0361 0.5
Brugia malayi steroid hormone receptor 0.0045 0.0331 0.1413
Schistosoma mansoni thyroid hormone receptor 0.0045 0.0331 0.0523
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0045 0.0331 0.0331
Echinococcus granulosus Bcl 2 ous antagonist:killer 0.0053 0.0457 0.0457
Loa Loa (eye worm) hypothetical protein 0.0045 0.0331 0.1413
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0486 0.0767
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0045 0.0331 0.1413

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.7943 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS for Inducers of the Endoplasmic Reticulum Stress Response (ERSR) in Human Glioma: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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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