Detailed information for compound 1374972

Basic information

Technical information
  • TDR Targets ID: 1374972
  • Name: 3-(4-methoxyphenyl)-5-(2-phenylphenyl)-1,2,4- oxadiazole
  • MW: 328.364 | Formula: C21H16N2O2
  • H donors: 0 H acceptors: 2 LogP: 5.06 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)c1noc(n1)c1ccccc1c1ccccc1
  • InChi: 1S/C21H16N2O2/c1-24-17-13-11-16(12-14-17)20-22-21(25-23-20)19-10-6-5-9-18(19)15-7-3-2-4-8-15/h2-14H,1H3
  • InChiKey: JHIDMNKFGHQTND-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • MLS000594200
  • SMR000143219
  • ZINC00618267
  • 5-(2-biphenylyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Streptococcus pyogenes serotype M1 Streptokinase A Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Plasmodium vivax 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
Leishmania mexicana basic transcription factor 3a, putative Get druggable targets OG5_127333 All targets in OG5_127333
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Entamoeba histolytica 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
Cryptosporidium parvum BTF domain, basal transcription factor 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
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Trypanosoma brucei gambiense nascent polypeptide associated complex alpha subunit, putative Get druggable targets OG5_127333 All targets in OG5_127333
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
Leishmania donovani transcription factor btf3, putative 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
Trichomonas vaginalis conserved hypothetical protein 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
Plasmodium yoelii basic transcription factor 3, putative 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
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Toxoplasma gondii NAC domain-containing protein Get druggable targets OG5_127333 All targets in OG5_127333
Schistosoma mansoni transcription factor btf3 Get druggable targets OG5_127333 All targets in OG5_127333
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Theileria parva transcription factor BTF3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) ICD-1 protein Get druggable targets OG5_127333 All targets in OG5_127333
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Plasmodium berghei transcription factor 3b, putative Get druggable targets OG5_127333 All targets in OG5_127333
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
Trypanosoma brucei transcription factor BTF3, putative 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
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
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 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
Plasmodium knowlesi basic transcription factor 3b, putative Get druggable targets OG5_127333 All targets in OG5_127333
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 falciparum basic transcription factor 3b, 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
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Cryptosporidium hominis NAC domain protein Get druggable targets OG5_127333 All targets in OG5_127333
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
Leishmania major basic transcription factor 3a, 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
Trypanosoma cruzi transcription factor btf3, putative 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
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
Brugia malayi Carboxylesterase family protein 0.0157 0.1368 0.1355
Loa Loa (eye worm) ICD-1 protein 0.0042 0.0084 0.0069
Echinococcus multilocularis carboxylesterase 5A 0.0931 1 1
Echinococcus granulosus acetylcholinesterase 0.0931 1 1
Loa Loa (eye worm) acetylcholinesterase 1 0.0931 1 1
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0157 0.1368 0.4717
Brugia malayi Carboxylesterase family protein 0.0157 0.1368 0.1355
Echinococcus granulosus neuroligin 0.0157 0.1368 0.1368
Loa Loa (eye worm) hypothetical protein 0.0157 0.1368 0.1355
Plasmodium vivax basic transcription factor 3b, putative 0.0042 0.0084 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0229 0.0215
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.8914 0.8913
Echinococcus granulosus carboxylesterase 5A 0.0931 1 1
Loa Loa (eye worm) carboxylesterase 0.0157 0.1368 0.1355
Onchocerca volvulus 0.0157 0.1368 0.4848
Schistosoma mansoni transcription factor btf3 0.0042 0.0084 0.0069
Onchocerca volvulus 0.0286 0.2805 1
Onchocerca volvulus 0.0157 0.1368 0.4848
Trichomonas vaginalis spcc417.12 protein, putative 0.0157 0.1368 0.4717
Mycobacterium tuberculosis Carboxylesterase LipT 0.0157 0.1368 0.5
Echinococcus granulosus acetylcholinesterase 0.0931 1 1
Loa Loa (eye worm) hypothetical protein 0.0157 0.1368 0.1355
Brugia malayi beta-NAC-like protein 0.0042 0.0084 0.0069
Leishmania major basic transcription factor 3a, putative 0.0042 0.0084 0.5
Brugia malayi hypothetical protein 0.0157 0.1368 0.1355
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0157 0.1368 0.5
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.2418 0.2407
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0229 0.0215
Echinococcus granulosus BC026374 protein S09 family 0.0157 0.1368 0.1368
Onchocerca volvulus 0.0157 0.1368 0.4848
Loa Loa (eye worm) hypothetical protein 0.0157 0.1368 0.1355
Trypanosoma cruzi transcription factor btf3, putative 0.0042 0.0084 0.5
Loa Loa (eye worm) carboxylesterase 0.0931 1 1
Schistosoma mansoni gliotactin 0.0157 0.1368 0.1355
Loa Loa (eye worm) hypothetical protein 0.0157 0.1368 0.1355
Echinococcus multilocularis transcription factor btf3 0.0042 0.0084 0.0069
Loa Loa (eye worm) hypothetical protein 0.0157 0.1368 0.1355
Loa Loa (eye worm) hypothetical protein 0.0157 0.1368 0.1355
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0097 0.0083
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0229 0.0215
Brugia malayi Carboxylesterase family protein 0.0931 1 1
Echinococcus multilocularis BC026374 protein (S09 family) 0.0157 0.1368 0.1355
Entamoeba histolytica hypothetical protein 0.0043 0.0097 1
Loa Loa (eye worm) hypothetical protein 0.0157 0.1368 0.1355
Trypanosoma brucei transcription factor BTF3, putative 0.0042 0.0084 0.5
Mycobacterium ulcerans carboxylesterase, LipT 0.0157 0.1368 0.5
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0097 0.0083
Entamoeba histolytica hypothetical protein 0.0043 0.0097 1
Loa Loa (eye worm) hypothetical protein 0.0931 1 1
Brugia malayi Pre-SET motif family protein 0.0251 0.2418 0.2407
Echinococcus multilocularis acetylcholinesterase 0.0931 1 1
Schistosoma mansoni hypothetical protein 0.0043 0.0097 0.0083
Brugia malayi Carboxylesterase family protein 0.0157 0.1368 0.1355
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0097 0.0097
Brugia malayi hypothetical protein 0.0043 0.0097 0.0083
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0229 0.0229
Entamoeba histolytica hypothetical protein 0.0043 0.0097 1
Trichomonas vaginalis set domain proteins, putative 0.0286 0.2805 1
Schistosoma mansoni neuroligin 3 (S09 family) 0.0157 0.1368 0.1355
Echinococcus multilocularis acetylcholinesterase 0.0931 1 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0157 0.1368 0.1355
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0157 0.1368 0.1355
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0229 0.0229
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0157 0.1368 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0229 0.0215
Echinococcus multilocularis neuroligin 0.0157 0.1368 0.1355
Entamoeba histolytica hypothetical protein 0.0043 0.0097 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0931 1 1
Echinococcus multilocularis para nitrobenzyl esterase 0.0157 0.1368 0.1355
Schistosoma mansoni BC026374 protein (S09 family) 0.0157 0.1368 0.1355
Brugia malayi Carboxylesterase family protein 0.0157 0.1368 0.1355
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0229 0.0215
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0157 0.1368 0.1368
Toxoplasma gondii NAC domain-containing protein 0.0042 0.0084 1
Onchocerca volvulus 0.0157 0.1368 0.4848
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.8914 0.8913
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0015 0.0015
Plasmodium falciparum basic transcription factor 3b, putative 0.0042 0.0084 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0229 0.0215
Echinococcus granulosus para nitrobenzyl esterase 0.0157 0.1368 0.1368
Loa Loa (eye worm) carboxylesterase 0.0157 0.1368 0.1355
Schistosoma mansoni acetylcholinesterase 0.0157 0.1368 0.1355
Echinococcus granulosus transcription factor btf3 0.0042 0.0084 0.0084
Loa Loa (eye worm) hypothetical protein 0.0931 1 1
Echinococcus granulosus microtubule associated protein 2 0.0833 0.8914 0.8914
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0157 0.1368 0.1355
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0229 0.0215
Onchocerca volvulus 0.0157 0.1368 0.4848
Trypanosoma cruzi transcription factor btf3, putative 0.0042 0.0084 0.5
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0157 0.1368 0.1355

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 8.178 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) = 17.842 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) 3.6964 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) 6.5131 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) 7.9433 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) = 15.8489 um PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.8489 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) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 35.4813 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 37.933 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) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (binding) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Compounds Blocking the Interaction Between CBF-beta and RUNX1 for the Treatment of Acute Myeloid Leukemia. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1484, AID504370, AID504374, AID504375] ChEMBL. No reference
Potency (functional) 70.7946 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.