Detailed information for compound 1283446

Basic information

Technical information
  • TDR Targets ID: 1283446
  • Name: 2-(4-chlorophenoxy)-N-(5-furan-2-yl-1,3,4-oxa diazol-2-yl)acetamide
  • MW: 319.7 | Formula: C14H10ClN3O4
  • H donors: 1 H acceptors: 3 LogP: 2.35 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1nnc(o1)c1ccco1)COc1ccc(cc1)Cl
  • InChi: 1S/C14H10ClN3O4/c15-9-3-5-10(6-4-9)21-8-12(19)16-14-18-17-13(22-14)11-2-1-7-20-11/h1-7H,8H2,(H,16,18,19)
  • InChiKey: IPXOJGQVTVARFY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(4-chlorophenoxy)-N-[5-(2-furyl)-1,3,4-oxadiazol-2-yl]acetamide
  • 2-(4-chlorophenoxy)-N-(5-furan-2-yl-1,3,4-oxadiazol-2-yl)ethanamide
  • SMR000323148
  • ZINC04107336
  • MLS000683080

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens l(3)mbt-like 1 (Drosophila) Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni hypothetical protein Get druggable targets OG5_130415 All targets in OG5_130415
Schistosoma japonicum Lethal(3)malignant brain tumor-like 3 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Schistosoma japonicum Lethal(3)malignant brain tumor-like 4 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Echinococcus granulosus endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
Echinococcus multilocularis endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
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
Brugia malayi Carboxylesterase family protein 0.029 0.8003 1
Brugia malayi mbt repeat family protein 0.0058 0.0286 0.0357
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0227 0.591 0.7385
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0066 0.055 0.0688
Schistosoma mansoni myelin transcription factor 1 myt1 0.0066 0.055 0.055
Schistosoma mansoni sex comb on midleg homolog 0.0058 0.0286 0.0286
Trichomonas vaginalis spcc417.12 protein, putative 0.0049 0 0.5
Echinococcus multilocularis acetylcholinesterase 0.029 0.8003 1
Loa Loa (eye worm) hypothetical protein 0.029 0.8003 1
Loa Loa (eye worm) hypothetical protein 0.0058 0.0286 0.0357
Echinococcus granulosus SAM and MBT domain containing protein 0.0058 0.0286 0.0357
Echinococcus multilocularis acetylcholinesterase 0.029 0.8003 1
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0058 0.0286 1
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0049 0 0.5
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0058 0.0286 0.0286
Loa Loa (eye worm) acetylcholinesterase 1 0.029 0.8003 1
Brugia malayi mbt repeat family protein 0.0058 0.0286 0.0357
Loa Loa (eye worm) hypothetical protein 0.029 0.8003 1
Mycobacterium ulcerans carboxylesterase, LipT 0.0049 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0066 0.055 0.0688
Schistosoma mansoni sex comb on midleg homolog 0.0058 0.0286 0.0286
Echinococcus multilocularis carboxylesterase 5A 0.029 0.8003 1
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0049 0 0.5
Loa Loa (eye worm) carboxylesterase 0.029 0.8003 1
Loa Loa (eye worm) MBCTL1 0.0066 0.055 0.0688
Echinococcus granulosus acetylcholinesterase 0.029 0.8003 1
Brugia malayi Carboxylesterase family protein 0.029 0.8003 1
Echinococcus granulosus carboxylesterase 5A 0.029 0.8003 1
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0066 0.055 0.0688
Echinococcus multilocularis polycomb protein SCMH1 0.0058 0.0286 0.0357
Loa Loa (eye worm) mbt repeat family protein 0.0058 0.0286 0.0357
Echinococcus granulosus acetylcholinesterase 0.029 0.8003 1
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0227 0.591 0.7385
Mycobacterium tuberculosis Carboxylesterase LipT 0.0049 0 0.5
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.029 0.8003 0.8003
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0049 0 0.5
Onchocerca volvulus 0.0058 0.0286 1
Echinococcus granulosus polycomb protein SCMH1 0.0058 0.0286 0.0357
Echinococcus multilocularis histone acetyltransferase MYST2 0.0066 0.055 0.0688
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0066 0.055 0.0688
Echinococcus granulosus histone acetyltransferase MYST2 0.0066 0.055 0.0688
Echinococcus multilocularis SAM and MBT domain containing protein 0.0058 0.0286 0.0357

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.9362 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) 8.2753 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) = 8.9125 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] 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 Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 28.1838 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) = 31.5479 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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