Detailed information for compound 1436296
Basic information
Technical information
- TDR Targets ID: 1436296
- Name: 3-phenyl-5-(2-phenylphenyl)-1,2,4-oxadiazole
- MW: 298.338 | Formula: C20H14N2O
-
H donors: 0
H acceptors: 2
LogP: 5.09
Rotable bonds: 3
Rule of 5 violations (Lipinski): 1 - SMILES: c1ccc(cc1)c1noc(n1)c1ccccc1c1ccccc1
- InChi: 1S/C20H14N2O/c1-3-9-15(10-4-1)17-13-7-8-14-18(17)20-21-19(22-23-20)16-11-5-2-6-12-16/h1-14H
- InChiKey: NBYSMABLVSMRAW-UHFFFAOYSA-N
Network
Hover on a compound node to display the structore
Synonyms
- SMR000142934
- ZINC00618093
- 5-(2-biphenylyl)-3-phenyl-1,2,4-oxadiazole
- STK337299
- MLS000535498
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Streptococcus pyogenes serotype M1 | Streptokinase A | Starlite/ChEMBL | No references |
| Homo sapiens | glucagon-like peptide 1 receptor | Starlite/ChEMBL | No references |
| Homo sapiens | APEX nuclease (multifunctional DNA repair enzyme) 1 | Starlite/ChEMBL | No references |
| Homo sapiens | G protein-coupled receptor 55 | Starlite/ChEMBL | No references |
| Homo sapiens | bromodomain adjacent to zinc finger domain, 2B | Starlite/ChEMBL | No references |
| Rattus norvegicus | Inositol monophosphatase 1 | Starlite/ChEMBL | No references |
Predicted pathogen targets for this compound
By orthology
By sequence similarity to non orthologous known druggable targets
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Loa Loa (eye worm) | ICD-1 protein | 0.0042 | 0.3017 | 0.326 |
| Trypanosoma cruzi | myo-inositol-1(or 4)-monophosphatase 1, putative | 0.0045 | 0.3361 | 1 |
| Echinococcus granulosus | inositol monophosphatase 1 | 0.0045 | 0.3361 | 0.4433 |
| Trypanosoma cruzi | transcription factor btf3, putative | 0.0042 | 0.3017 | 0.8912 |
| Echinococcus multilocularis | transcription factor btf3 | 0.0042 | 0.3017 | 0.3951 |
| Mycobacterium leprae | possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). | 0.004 | 0.2686 | 0.5 |
| Treponema pallidum | exodeoxyribonuclease (exoA) | 0.0023 | 0.0199 | 0.5 |
| Trypanosoma cruzi | myo-inositol-1(or 4)-monophosphatase 1, putative | 0.0045 | 0.3361 | 1 |
| Toxoplasma gondii | NAC domain-containing protein | 0.0042 | 0.3017 | 0.8912 |
| Echinococcus multilocularis | fetal alzheimer antigen, falz | 0.0027 | 0.0851 | 0.0914 |
| Loa Loa (eye worm) | pigment dispersing factor receptor c | 0.006 | 0.5614 | 0.6066 |
| Brugia malayi | PHD-finger family protein | 0.003 | 0.1264 | 0.1086 |
| Echinococcus granulosus | zinc finger protein | 0.0024 | 0.0333 | 0.0188 |
| Loa Loa (eye worm) | hypothetical protein | 0.0085 | 0.9254 | 1 |
| Echinococcus granulosus | fetal alzheimer antigen falz | 0.0027 | 0.0851 | 0.0914 |
| Trichomonas vaginalis | myo inositol monophosphatase, putative | 0.0045 | 0.3361 | 1 |
| Schistosoma mansoni | hypothetical protein | 0.0041 | 0.2863 | 0.3434 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0042 | 0.3017 | 0.8912 |
| Leishmania major | myo-inositol-1(or 4)-monophosphatase 1, putative | 0.0045 | 0.3361 | 1 |
| Trichomonas vaginalis | myo inositol monophosphatase, putative | 0.0045 | 0.3361 | 1 |
| Schistosoma mansoni | hypothetical protein | 0.0025 | 0.0518 | 0.0411 |
| Loa Loa (eye worm) | inositol-1 | 0.0045 | 0.3361 | 0.3632 |
| Entamoeba histolytica | myo-inositol monophosphatase, putative | 0.0045 | 0.3361 | 1 |
| Loa Loa (eye worm) | PHD-finger family protein | 0.0025 | 0.0518 | 0.0559 |
| Trypanosoma cruzi | transcription factor btf3, putative | 0.0042 | 0.3017 | 0.8912 |
| Brugia malayi | Corticotropin releasing factor receptor 2 precursor, putative | 0.006 | 0.5614 | 0.5525 |
| Giardia lamblia | Endonuclease/Exonuclease/phosphatase | 0.0023 | 0.0199 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0041 | 0.2863 | 0.3093 |
| Trypanosoma brucei | inositol-1(or 4)-monophosphatase 1, putative | 0.0045 | 0.3361 | 1 |
| Brugia malayi | Bromodomain containing protein | 0.0046 | 0.3599 | 0.3469 |
| Brugia malayi | Inositol-1 | 0.0045 | 0.3361 | 0.3226 |
| Echinococcus multilocularis | bromodomain adjacent to zinc finger domain | 0.0072 | 0.7332 | 1 |
| Wolbachia endosymbiont of Brugia malayi | fructose-1,6-bisphosphatase | 0.0045 | 0.3361 | 1 |
| Trypanosoma brucei | transcription factor BTF3, putative | 0.0042 | 0.3017 | 0.8912 |
| Loa Loa (eye worm) | hypothetical protein | 0.0052 | 0.4357 | 0.4709 |
| Schistosoma mansoni | transcription factor btf3 | 0.0042 | 0.3017 | 0.3633 |
| Brugia malayi | latrophilin 2 splice variant baaae | 0.0041 | 0.2863 | 0.2718 |
| Trichomonas vaginalis | inositol monophosphatase, putative | 0.0045 | 0.3361 | 1 |
| Entamoeba histolytica | transcription factor BTF3, putative | 0.0042 | 0.3017 | 0.8912 |
| Loa Loa (eye worm) | hypothetical protein | 0.006 | 0.5614 | 0.6066 |
| Mycobacterium ulcerans | extragenic suppressor protein SuhB | 0.0045 | 0.3361 | 1 |
| Echinococcus multilocularis | zinc finger protein | 0.0024 | 0.0333 | 0.0188 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0042 | 0.3017 | 0.8912 |
| Loa Loa (eye worm) | exodeoxyribonuclease III family protein | 0.0023 | 0.0199 | 0.0215 |
| Echinococcus multilocularis | bromodomain adjacent to zinc finger domain | 0.0043 | 0.3186 | 0.4188 |
| Loa Loa (eye worm) | hypothetical protein | 0.0049 | 0.4024 | 0.4348 |
| Echinococcus granulosus | bromodomain adjacent to zinc finger domain | 0.0043 | 0.3186 | 0.4188 |
| Schistosoma mansoni | acetyl-CoA C-acetyltransferase | 0.0027 | 0.0851 | 0.084 |
| Schistosoma mansoni | inositol monophosphatase | 0.0045 | 0.3361 | 0.4076 |
| Mycobacterium tuberculosis | Inositol-1-monophosphatase SuhB | 0.004 | 0.2686 | 1 |
| Echinococcus granulosus | transcription factor btf3 | 0.0042 | 0.3017 | 0.3951 |
| Leishmania major | basic transcription factor 3a, putative | 0.0042 | 0.3017 | 0.8912 |
| Schistosoma mansoni | inositol monophosphatase | 0.0045 | 0.3361 | 0.4076 |
| Plasmodium vivax | basic transcription factor 3b, putative | 0.0042 | 0.3017 | 1 |
| Echinococcus granulosus | bromodomain adjacent to zinc finger domain | 0.0072 | 0.7332 | 1 |
| Echinococcus multilocularis | inositol monophosphatase 1 | 0.0045 | 0.3361 | 0.4433 |
| Plasmodium falciparum | basic transcription factor 3b, putative | 0.0042 | 0.3017 | 1 |
| Brugia malayi | beta-NAC-like protein | 0.0042 | 0.3017 | 0.2875 |
| Schistosoma mansoni | zinc finger protein | 0.0024 | 0.0333 | 0.0173 |
| Brugia malayi | Calcitonin receptor-like protein seb-1 | 0.006 | 0.5614 | 0.5525 |
| Loa Loa (eye worm) | hypothetical protein | 0.0046 | 0.3611 | 0.3902 |
| Schistosoma mansoni | bromodomain containing protein | 0.0076 | 0.7956 | 1 |
| Toxoplasma gondii | inositol(myo)-1(or 4)-monophosphatase 2, putative | 0.0045 | 0.3361 | 1 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0042 | 0.3017 | 0.8912 |
| Entamoeba histolytica | hypothetical protein | 0.0042 | 0.3017 | 0.8912 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| EC50 (functional) | = 3.697 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) | = 21.513 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 |
| IC50 (functional) | = 6.085286 uM | PUBCHEM_BIOASSAY: Image-Based HTS for Selective Antagonists for GPR55. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2026, AID2809, AID2814, AID2815, AID2820, AID2822, AID2835, AID2836, AID485277, AID485278, AID485282, AID485283, AID485285, AID485286, AID485287, AID488947] | ChEMBL. | No reference |
| Potency (functional) | 11.2202 uM | PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 11.2202 uM | PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 14.1254 um | PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors: Potentiation with Lithium. (Class of assay: confirmatory) [Related pubchem assays: 901 ] | ChEMBL. | No reference |
| Potency (functional) | 19.9526 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] | ChEMBL. | No reference |
| Potency (functional) | 29.0929 uM | PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 31.6228 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 (binding) | 31.6228 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) | = 35.4813 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 50.1187 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) | 56.2341 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] | ChEMBL. | No reference |
| Potency (functional) | 89.1251 uM | PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] | 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.
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
- ChEMBL: CHEMBL1605739
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.