Detailed information for compound 1248933

Basic information

Technical information
  • TDR Targets ID: 1248933
  • Name: N-[5-(5,6-dihydro-1,4-dioxin-2-yl)-1,3,4-oxad iazol-2-yl]-3-fluorobenzamide
  • MW: 291.235 | Formula: C13H10FN3O4
  • H donors: 1 H acceptors: 3 LogP: 0.99 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1cccc(c1)C(=O)Nc1nnc(o1)C1=COCCO1
  • InChi: 1S/C13H10FN3O4/c14-9-3-1-2-8(6-9)11(18)15-13-17-16-12(21-13)10-7-19-4-5-20-10/h1-3,6-7H,4-5H2,(H,15,17,18)
  • InChiKey: QITYAGXAJASXGG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[5-(5,6-dihydro-1,4-dioxin-2-yl)-1,3,4-oxadiazol-2-yl]-3-fluoro-benzamide
  • ZINC04264389

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Streptococcus pyogenes serotype M1 Streptokinase A Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative 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
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni transcription factor btf3 Get druggable targets OG5_127333 All targets in OG5_127333
Echinococcus granulosus transcription factor btf3 Get druggable targets OG5_127333 All targets in OG5_127333
Babesia bovis NAC domain containing protein Get druggable targets OG5_127333 All targets in OG5_127333
Candida albicans similar to S. cerevisiae GAL4 enhancer protein EGD1 (YPL037C) subunit alpha of the nascent polypeptide-associated chaperone comp Get druggable targets OG5_127333 All targets in OG5_127333
Leishmania mexicana basic transcription factor 3a, putative Get druggable targets OG5_127333 All targets in OG5_127333
Cryptosporidium hominis NAC domain protein Get druggable targets OG5_127333 All targets in OG5_127333
Loa Loa (eye worm) ICD-1 protein Get druggable targets OG5_127333 All targets in OG5_127333
Leishmania major basic transcription factor 3a, putative Get druggable targets OG5_127333 All targets in OG5_127333
Trypanosoma cruzi transcription factor btf3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Echinococcus multilocularis transcription factor btf3 Get druggable targets OG5_127333 All targets in OG5_127333
Trypanosoma brucei gambiense nascent polypeptide associated complex alpha subunit, putative Get druggable targets OG5_127333 All targets in OG5_127333
Toxoplasma gondii NAC domain-containing protein Get druggable targets OG5_127333 All targets in OG5_127333
Leishmania donovani transcription factor btf3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Trypanosoma brucei transcription factor BTF3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Theileria parva transcription factor BTF3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Leishmania infantum basic transcription factor 3a, putative Get druggable targets OG5_127333 All targets in OG5_127333
Trypanosoma cruzi transcription factor btf3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Plasmodium berghei transcription factor 3b, putative Get druggable targets OG5_127333 All targets in OG5_127333
Plasmodium yoelii basic transcription factor 3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Schistosoma japonicum ko:K01527 nascent polypeptide-associated complex subunit beta, putative Get druggable targets OG5_127333 All targets in OG5_127333
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
Entamoeba histolytica transcription factor BTF3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Neospora caninum hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
Plasmodium vivax basic transcription factor 3b, putative Get druggable targets OG5_127333 All targets in OG5_127333
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
Candida albicans similar to S. cerevisiae GAL4 enhancer protein EGD1 (YPL037C) subunit alpha of the nascent polypeptide-associated chaperone comp Get druggable targets OG5_127333 All targets in OG5_127333
Leishmania braziliensis basic transcription factor 3a, putative Get druggable targets OG5_127333 All targets in OG5_127333
Plasmodium falciparum basic transcription factor 3b, putative Get druggable targets OG5_127333 All targets in OG5_127333
Schistosoma japonicum expressed 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
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
Cryptosporidium parvum BTF domain, basal transcription factor Get druggable targets OG5_127333 All targets in OG5_127333
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative 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
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Plasmodium knowlesi basic transcription factor 3b, putative Get druggable targets OG5_127333 All targets in OG5_127333
Brugia malayi beta-NAC-like protein Get druggable targets OG5_127333 All targets in OG5_127333
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.0851 0.0721
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.3194 0.3753
Entamoeba histolytica hypothetical protein 0.0043 0.3194 1
Schistosoma mansoni bromodomain containing protein 0.0076 0.7956 1
Schistosoma mansoni tar DNA-binding protein 0.0073 0.7511 0.9416
Brugia malayi beta-NAC-like protein 0.0042 0.3017 0.2007
Loa Loa (eye worm) PHD-finger family protein 0.0025 0.0518 0.0559
Trypanosoma cruzi transcription factor btf3, putative 0.0042 0.3017 0.5
Entamoeba histolytica hypothetical protein 0.0043 0.3194 1
Brugia malayi RNA binding protein 0.0073 0.7511 0.7151
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.3186 0.3974
Brugia malayi hypothetical protein 0.0043 0.3194 0.2209
Brugia malayi Bromodomain containing protein 0.0046 0.3599 0.2673
Loa Loa (eye worm) hypothetical protein 0.0049 0.4024 0.4348
Toxoplasma gondii NAC domain-containing protein 0.0042 0.3017 0.5
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0851 0.0679
Loa Loa (eye worm) TAR-binding protein 0.0073 0.7511 0.8116
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.3194 0.3985
Brugia malayi TAR-binding protein 0.0073 0.7511 0.7151
Schistosoma mansoni hypothetical protein 0.0025 0.0518 0.0242
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.3186 0.3974
Schistosoma mansoni transcription factor btf3 0.0042 0.3017 0.3521
Brugia malayi RNA recognition motif domain containing protein 0.0073 0.7511 0.7151
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.7332 0.975
Plasmodium vivax basic transcription factor 3b, putative 0.0042 0.3017 0.5
Entamoeba histolytica hypothetical protein 0.0043 0.3194 1
Schistosoma mansoni hypothetical protein 0.0043 0.3194 0.3753
Trypanosoma cruzi transcription factor btf3, putative 0.0042 0.3017 0.5
Echinococcus granulosus transcription factor btf3 0.0042 0.3017 0.3739
Loa Loa (eye worm) RNA binding protein 0.0073 0.7511 0.8116
Schistosoma mansoni tar DNA-binding protein 0.0073 0.7511 0.9416
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.3017 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0073 0.7511 0.8116
Leishmania major basic transcription factor 3a, putative 0.0042 0.3017 0.5
Plasmodium falciparum basic transcription factor 3b, putative 0.0042 0.3017 0.5
Loa Loa (eye worm) ICD-1 protein 0.0042 0.3017 0.326
Echinococcus granulosus tar DNA binding protein 0.0073 0.7511 1
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.3017 0.5
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.0851 0.0721
Trypanosoma brucei transcription factor BTF3, putative 0.0042 0.3017 0.5
Loa Loa (eye worm) hypothetical protein 0.0046 0.3611 0.3902
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.7332 0.975
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.3017 0.5
Schistosoma mansoni tar DNA-binding protein 0.0073 0.7511 0.9416
Loa Loa (eye worm) hypothetical protein 0.0052 0.4357 0.4709
Schistosoma mansoni tar DNA-binding protein 0.0073 0.7511 0.9416
Schistosoma mansoni tar DNA-binding protein 0.0073 0.7511 0.9416
Loa Loa (eye worm) hypothetical protein 0.0085 0.9254 1
Echinococcus multilocularis transcription factor btf3 0.0042 0.3017 0.3739
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.3194 0.3985
Echinococcus multilocularis tar DNA binding protein 0.0073 0.7511 1
Entamoeba histolytica hypothetical protein 0.0043 0.3194 1

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 2.374 um PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Identify Inhibitors of Streptokinase Promotor Activity. (Class of assay: confirmatory) [Related pubchem assays: 1677 (Project Summary), 1662 (Primary HTS)] ChEMBL. No reference
EC50 (functional) > 150 um PUBCHEM_BIOASSAY: Absorbance Microorganism-Based Dose Response HTS to Identify Inhibitors of Streptokinase Expression. (Class of assay: confirmatory) [Related pubchem assays: 1677 (Project Summary), 1902 (Retest at Dose), 1900 (Counter Screen), 1662 (Primary HTS)] ChEMBL. No reference
Potency (functional) 0.0928 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) = 0.5623 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 0.631 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 14.7157 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) 16.3601 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 22.3872 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.053 uM PUBCHEM_BIOASSAY: qHTS of small molecules that selectively kill Giardia lamblia: Hit Validation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540272] ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. qHTS of alpha-syn Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 79.4328 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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