Detailed information for compound 1879805

Basic information

Technical information
  • TDR Targets ID: 1879805
  • Name: 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[[2-[(2-f luorophenyl)methoxy]phenyl]methylideneamino]a cetamide
  • MW: 385.415 | Formula: C18H16FN5O2S
  • H donors: 2 H acceptors: 3 LogP: 2.47 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Cc1nnc(s1)N)N/N=C/c1ccccc1OCc1ccccc1F
  • InChi: 1S/C18H16FN5O2S/c19-14-7-3-1-6-13(14)11-26-15-8-4-2-5-12(15)10-21-22-16(25)9-17-23-24-18(20)27-17/h1-8,10H,9,11H2,(H2,20,24)(H,22,25)/b21-10+
  • InChiKey: PBMQTGVBSHLVPP-UFFVCSGVSA-N  

Network

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Synonyms

  • 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyleneamino]acetamide
  • 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[[2-(2-fluorobenzyl)oxybenzylidene]amino]acetamide
  • 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]ethanamide
  • MLS000768912
  • STK015837
  • (5-Amino-[1,3,4]thiadiazol-2-yl)-acetic acid [1-[2-(2-fluoro-benzyloxy)-phenyl]-meth-(E)-ylidene]-hydrazide
  • AM-900/15050046
  • SMR000433658

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
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
Plasmodium yoelii histone acetyltransferase GCN5-related 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
Giardia lamblia Histone acetyltransferase GCN5 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
Neospora caninum hypothetical 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
Trichomonas vaginalis bromodomain-containing protein, putative Get druggable targets OG5_127781 All targets in OG5_127781
Cryptosporidium hominis histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium knowlesi histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 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
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 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
Babesia bovis histone acetyltransferase 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
Cryptosporidium parvum GCN5 like acetylase + bromodomain 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
Schistosoma japonicum ko:K06062 p300/CBP-associated factor, putative Get druggable targets OG5_127781 All targets in OG5_127781
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
Plasmodium vivax histone acetyltransferase GCN5, 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
Plasmodium berghei histone acetyltransferase GCN5, putative 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
Neospora caninum Bromodomain containing protein, related Get druggable targets OG5_127781 All targets in OG5_127781
Entamoeba histolytica acetyltransferase, GNAT family Get druggable targets OG5_127781 All targets in OG5_127781

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
Plasmodium vivax ribonucleoside-diphosphate reductase small chain, putative 0.0074 0.0136 0.0114
Trypanosoma brucei ribonucleoside-diphosphate reductase large chain 0.203 1 1
Mycobacterium tuberculosis Probable ribonucleoside-diphosphate reductase (large subunit) NrdZ (ribonucleotide reductase) 0.0632 0.295 0.3313
Mycobacterium tuberculosis Probable transcriptional regulatory protein NrdR 0.0272 0.1133 0.1175
Plasmodium falciparum ribonucleoside-diphosphate reductase small chain, putative 0.0074 0.0136 0.0136
Plasmodium falciparum ribonucleoside-diphosphate reductase large subunit, putative 0.203 1 1
Entamoeba histolytica acetyltransferase, GNAT family 0.0047 0 0.5
Wolbachia endosymbiont of Brugia malayi ribonucleotide-diphosphate reductase subunit alpha 0.1758 0.8629 1
Echinococcus granulosus ribonucleoside diphosphate reductase large 0.203 1 1
Loa Loa (eye worm) acetyltransferase 0.0175 0.0645 0.0516
Echinococcus granulosus histone acetyltransferase KAT2B 0.017 0.062 0.06
Mycobacterium leprae RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE (ALPHA CHAIN) NRDE (RIBONUCLEOTIDE REDUCTASE SMALL SUBUNIT) (R1F PROTEIN) 0.1758 0.8629 1
Mycobacterium tuberculosis Ribonucleoside-diphosphate reductase (alpha chain) NrdE (ribonucleotide reductase small subunit) (R1F protein) 0.1758 0.8629 1
Leishmania major ribonucleoside-diphosphate reductase large chain, putative 0.203 1 1
Mycobacterium ulcerans ribonucleotide-diphosphate reductase subunit alpha 0.1758 0.8629 1
Trichomonas vaginalis ribonucleoside-diphosphate reductase alpha chain, putative 0.1758 0.8629 1
Echinococcus granulosus ribonucleoside diphosphate reductase subunit 0.0074 0.0136 0.0114
Treponema pallidum ribonucleotide-diphosphate reductase subunit alpha 0.203 1 1
Trypanosoma cruzi ribonucleoside-diphosphate reductase large chain, putative 0.203 1 1
Toxoplasma gondii ribonucleoside-diphosphate reductase large chain 0.203 1 1
Loa Loa (eye worm) ribonucleoside-diphosphate reductase large subunit 0.203 1 1
Schistosoma mansoni ribonucleoside-diphosphate reductase alpha subunit 0.203 1 1
Giardia lamblia Histone acetyltransferase GCN5 0.0047 0 0.5
Brugia malayi acetyltransferase, GNAT family protein 0.0175 0.0645 0.0516
Plasmodium vivax ribonucleoside-diphosphate reductase large chain, putative 0.203 1 1
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0175 0.0645 0.0516
Chlamydia trachomatis transcriptional repressor NrdR 0.0272 0.1133 0.1011
Toxoplasma gondii ribonucleoside-diphosphate reductase small subunit 0.0074 0.0136 0.0114
Chlamydia trachomatis ribonucleoside-diphosphate reductase subunit alpha 0.203 1 1
Echinococcus multilocularis ribonucleoside diphosphate reductase large 0.203 1 1
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0175 0.0645 0.0516
Trypanosoma cruzi ribonucleoside-diphosphate reductase large chain, putative 0.0539 0.2482 0.2379

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 17.7828 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 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 (binding) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] 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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