Detailed information for compound 1482910

Basic information

Technical information
  • TDR Targets ID: 1482910
  • Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N -(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide
  • MW: 334.377 | Formula: C12H10N6O2S2
  • H donors: 2 H acceptors: 5 LogP: 1.59 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1nnc(o1)c1ccccc1)CSc1nnc(s1)N
  • InChi: 1S/C12H10N6O2S2/c13-10-16-18-12(22-10)21-6-8(19)14-11-17-15-9(20-11)7-4-2-1-3-5-7/h1-5H,6H2,(H2,13,16)(H,14,17,19)
  • InChiKey: LBFAUGNFJDCSFS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide
  • 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)ethanamide
  • ZINC05636537

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens polymerase (DNA directed), eta Starlite/ChEMBL No references
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma congolense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma brucei DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus granulosus dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Brugia malayi ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Candida albicans similar to S. cerevisiae DNA polymerase pol-eta, involved in the bypass of distorted DNA lesions Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Leishmania mexicana DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Toxoplasma gondii ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Leishmania mexicana Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma brucei gambiense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Neospora caninum Pc21g17280 protein, related Get druggable targets OG5_128521 All targets in OG5_128521
Candida albicans similar to S. cerevisiae DNA polymerase pol-eta, involved in the bypass of distorted DNA lesions Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma mansoni DNA polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Cryptosporidium parvum DinB/family X-type DNA polymerase Get druggable targets OG5_128521 All targets in OG5_128521
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
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.067 0.1357
Trypanosoma brucei unspecified product 0.0023 0.067 0.1357
Brugia malayi PHD-finger family protein 0.003 0.161 0.1008
Loa Loa (eye worm) hypothetical protein 0.0085 0.9283 1
Schistosoma mansoni terminal deoxycytidyl transferase 0.0023 0.067 0.0834
Leishmania major DNA polymerase eta, putative 0.0054 0.4937 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.067 0.1357
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0021 0.0294 0.0366
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.067 0.1357
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.067 0.1357
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.0294 0.0366
Loa Loa (eye worm) hypothetical protein 0.0049 0.4261 0.4413
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0023 0.067 0.0527
Echinococcus multilocularis zinc finger protein 0.0024 0.0717 0.0592
Loa Loa (eye worm) hypothetical protein 0.0052 0.4581 0.4769
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0023 0.067 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.067 0.1357
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.067 0.1357
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.067 0.1357
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.067 0.1357
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.067 0.1357
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.7437 1
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.1214 0.151
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.1214 0.1287
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0038 0.2708 0.5
Echinococcus multilocularis dna polymerase eta 0.0054 0.4937 0.65
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0023 0.067 0.0834
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.067 0.1357
Loa Loa (eye worm) hypothetical protein 0.0046 0.3864 0.3972
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.067 0.1357
Schistosoma mansoni DNA polymerase eta 0.0054 0.4937 0.6143
Echinococcus multilocularis dna polymerase kappa 0.0023 0.067 0.0527
Leishmania major DNA polymerase eta, putative 0.0038 0.2708 0.5484
Entamoeba histolytica deoxycytidyl transferase, putative 0.0023 0.067 0.5
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.1214 0.1287
Echinococcus granulosus dna polymerase kappa 0.0023 0.067 0.0527
Trypanosoma cruzi DNA polymerase eta, putative 0.0038 0.2708 0.5484
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.067 0.1357
Brugia malayi Bromodomain containing protein 0.0046 0.3853 0.3411
Brugia malayi ImpB/MucB/SamB family protein 0.0054 0.4937 0.4573
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0023 0.067 0.0418
Loa Loa (eye worm) bromodomain containing protein 0.0021 0.0397 0.0114
Echinococcus granulosus zinc finger protein 0.0024 0.0717 0.0592
Leishmania major DNA polymerase kappa, putative 0.0023 0.067 0.1357
Giardia lamblia DINP protein human, muc B family 0.0023 0.067 0.5
Loa Loa (eye worm) hypothetical protein 0.0054 0.4937 0.5165
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.3456 0.4427
Schistosoma mansoni hypothetical protein 0.0025 0.0894 0.1112
Trypanosoma cruzi DNA polymerase eta, putative 0.0054 0.4937 1
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.067 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.067 0.1357
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.0294 0.0366
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.067 0.1357
Echinococcus granulosus dna polymerase eta 0.0054 0.4937 0.65
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.067 0.5
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0.067 0.5
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 0.067 0.5
Schistosoma mansoni zinc finger protein 0.0024 0.0717 0.0891
Schistosoma mansoni bromodomain containing protein 0.0076 0.8037 1
Trypanosoma brucei DNA polymerase eta, putative 0.0054 0.4937 1
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0023 0.067 0.1357
Trichomonas vaginalis DNA polymerase eta, putative 0.0023 0.067 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.067 0.1357
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.067 0.1357
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.3456 0.4427
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0023 0.067 0.0527
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.067 0.1357
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.7437 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0021 0.0294 0.0366
Loa Loa (eye worm) PHD-finger family protein 0.0025 0.0894 0.0667

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 13.1154 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 14.1254 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) 15.8489 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 16.5113 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) 23.9341 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] 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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