Detailed information for compound 1337526

Basic information

Technical information
  • TDR Targets ID: 1337526
  • Name: N-methyl-N-(5-pyrazin-2-yl-1,3,4-thiadiazol-2 -yl)acetamide
  • MW: 235.266 | Formula: C9H9N5OS
  • H donors: 0 H acceptors: 5 LogP: -0.38 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)N(c1nnc(s1)c1cnccn1)C
  • InChi: 1S/C9H9N5OS/c1-6(15)14(2)9-13-12-8(16-9)7-5-10-3-4-11-7/h3-5H,1-2H3
  • InChiKey: SPOPHZJLWMIUBE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-methyl-N-[5-(2-pyrazinyl)-1,3,4-thiadiazol-2-yl]acetamide
  • N-methyl-N-(5-pyrazin-2-yl-1,3,4-thiadiazol-2-yl)ethanamide
  • ASN 09114508
  • N-Methyl-N-(5-pyrazin-2-yl-[1,3,4]thiadiazol-2-yl)-acetamide
  • MLS000527955
  • SMR000120529
  • ZINC01348985

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 1, subfamily A, polypeptide 2 Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
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
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
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
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, 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
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative 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 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Brugia malayi Cytochrome P450 family protein cytochrome P450, family 1, subfamily A, polypeptide 2 516 aa 470 aa 26.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0431 0.1301 1
Leishmania major UDP-galactopyranose mutase 0.0431 0.1301 0.5
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.0424 0.3259
Brugia malayi MH1 domain containing protein 0.001 0.0013 0.0103
Plasmodium vivax hypothetical protein, conserved 0.0431 0.1301 0.5
Echinococcus granulosus lysine specific histone demethylase 1A 0.0431 0.1301 0.1486
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0152 0.0139
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0431 0.1301 0.129
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.3277 1 0.5
Brugia malayi MH2 domain containing protein 0.001 0.0013 0.0103
Loa Loa (eye worm) hypothetical protein 0.0431 0.1301 1
Mycobacterium ulcerans protoporphyrinogen oxidase 0.3277 1 1
Mycobacterium tuberculosis Probable protoporphyrinogen oxidase HemY (protoporphyrinogen-IX oxidase) (protoporphyrinogenase) (PPO) 0.2846 0.8682 1
Brugia malayi Smad1 0.001 0.0013 0.0103
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0431 0.1301 0.5
Plasmodium vivax hypothetical protein, conserved 0.0431 0.1301 0.5
Echinococcus multilocularis protoporphyrinogen oxidase 0.3277 1 1
Echinococcus granulosus geminin 0.0205 0.0609 0.0687
Trypanosoma cruzi UDP-galactopyranose mutase 0.0431 0.1301 0.5
Brugia malayi MH2 domain containing protein 0.0144 0.0424 0.3259
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0152 0.117
Loa Loa (eye worm) hypothetical protein 0.0431 0.1301 1
Loa Loa (eye worm) hypothetical protein 0.0431 0.1301 1
Loa Loa (eye worm) Smad1 0.001 0.0013 0.0103
Loa Loa (eye worm) MH2 domain-containing protein 0.001 0.0013 0.0103
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.3277 1 1
Schistosoma mansoni hypothetical protein 0.0205 0.0609 0.0596
Brugia malayi hypothetical protein 0.0431 0.1301 1
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0431 0.1301 0.129
Schistosoma mansoni amine oxidase 0.0431 0.1301 0.129
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0152 0.117
Echinococcus multilocularis geminin 0.0205 0.0609 0.0596
Loa Loa (eye worm) hypothetical protein 0.0431 0.1301 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0152 0.0139
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0431 0.1301 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0152 0.0139
Echinococcus granulosus protoporphyrinogen oxidase 0.2846 0.8682 1
Loa Loa (eye worm) hypothetical protein 0.0431 0.1301 1
Loa Loa (eye worm) MH1 domain-containing protein 0.001 0.0013 0.0103
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.0424 0.3259
Trypanosoma cruzi UDP-galactopyranose mutase 0.0431 0.1301 0.5
Schistosoma mansoni amine oxidase 0.0431 0.1301 0.129
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0431 0.1301 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0152 0.016
Onchocerca volvulus 0.0431 0.1301 0.5
Schistosoma mansoni hypothetical protein 0.0205 0.0609 0.0596
Brugia malayi MH2 domain containing protein 0.001 0.0013 0.0103
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0152 0.0139
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0431 0.1301 0.5
Brugia malayi MH1 domain containing protein 0.001 0.0013 0.0103
Plasmodium falciparum protoporphyrinogen oxidase 0.0431 0.1301 0.5
Toxoplasma gondii histone lysine-specific demethylase 0.0431 0.1301 0.5
Brugia malayi SWIRM domain containing protein 0.0431 0.1301 1
Echinococcus granulosus lysine specific histone demethylase 1A 0.0431 0.1301 0.1486
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0152 0.016
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0152 0.0139
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0431 0.1301 0.5
Echinococcus multilocularis 0.0431 0.1301 0.129
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0979 0.2977 0.2967
Brugia malayi amine oxidase, flavin-containing family protein 0.0431 0.1301 1

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 6.309573445 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
Potency (functional) 2.2387 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) 3.5481 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 3.9811 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 4.1095 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) 31.6228 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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