Detailed information for compound 1447323

Basic information

Technical information
  • TDR Targets ID: 1447323
  • Name: 1-(3-chloro-4-methoxyphenyl)-4-[3-(2-methylph enyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
  • MW: 383.828 | Formula: C20H18ClN3O3
  • H donors: 0 H acceptors: 3 LogP: 3.62 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1Cl)N1CC(CC1=O)c1onc(n1)c1ccccc1C
  • InChi: 1S/C20H18ClN3O3/c1-12-5-3-4-6-15(12)19-22-20(27-23-19)13-9-18(25)24(11-13)14-7-8-17(26-2)16(21)10-14/h3-8,10,13H,9,11H2,1-2H3
  • InChiKey: AXSWTYYQLGDTJS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(3-chloro-4-methoxy-phenyl)-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
  • 1-(3-chloro-4-methoxyphenyl)-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyrrolidinone
  • 1-(3-chloro-4-methoxy-phenyl)-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyrrolidone
  • G229-0177
  • NCGC00129625-01

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Entamoeba histolytica hypothetical protein 0.0038 0.0504 0.5
Echinococcus multilocularis GPCR, family 2 0.0034 0.0386 0.0386
Echinococcus granulosus muscleblind protein 0.0162 0.4156 0.4156
Trypanosoma cruzi ion transport protein, putative 0.0114 0.273 0.5
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0034 0.0386 0.0386
Brugia malayi Voltage-gated potassium channel, Shaker-family (KCNA, Kv1-like) alpha-subunit 0.0098 0.2262 0.3166
Echinococcus multilocularis geminin 0.0361 1 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0034 0.0386 0.0334
Loa Loa (eye worm) hypothetical protein 0.0067 0.1372 0.1981
Brugia malayi Latrophilin receptor protein 2 0.0034 0.0386 0.0334
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0106 0.2518 0.3551
Brugia malayi Calcitonin receptor-like protein seb-1 0.0106 0.2518 0.3551
Loa Loa (eye worm) hypothetical protein 0.0043 0.065 0.0914
Brugia malayi Bromodomain containing protein 0.0078 0.1702 0.2321
Echinococcus granulosus GPCR family 2 0.0034 0.0386 0.0386
Schistosoma mansoni hypothetical protein 0.0022 0.0032 0.0032
Schistosoma mansoni calcium-activated potassium channel 0.0134 0.3334 0.3334
Echinococcus granulosus tumor protein p63 0.0354 0.9777 0.9777
Echinococcus multilocularis potassium voltage gated channel protein 0.0098 0.2262 0.2262
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0024 0.0091 0.0091
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0034 0.0386 0.0386
Schistosoma mansoni calcium-activated potassium channel 0.0128 0.3142 0.3142
Loa Loa (eye worm) hypothetical protein 0.0073 0.1531 0.2217
Echinococcus granulosus potassium voltage gated channel subfamily A 0.0098 0.2262 0.2262
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0034 0.0386 0.0386
Brugia malayi latrophilin 2 splice variant baaae 0.0073 0.1531 0.2062
Schistosoma mansoni voltage-gated potassium channel 0.0098 0.2262 0.2262
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0024 0.0091 0.0091
Loa Loa (eye worm) hypothetical protein 0.0162 0.4156 0.6101
Schistosoma mansoni transcription factor LCR-F1 0.0038 0.0504 0.0504
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0062 0.1232 0.1232
Schistosoma mansoni hypothetical protein 0.0034 0.0386 0.0386
Schistosoma mansoni hypothetical protein 0.0038 0.0504 0.0504
Loa Loa (eye worm) hypothetical protein 0.006 0.1169 0.1682
Loa Loa (eye worm) hypothetical protein 0.0098 0.2262 0.3299
Loa Loa (eye worm) hypothetical protein 0.004 0.0577 0.0806
Schistosoma mansoni hypothetical protein 0.0134 0.3334 0.3334
Echinococcus multilocularis muscleblind protein 0.0162 0.4156 0.4156
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0038 0.0502 0.0502
Entamoeba histolytica hypothetical protein 0.0038 0.0504 0.5
Loa Loa (eye worm) hypothetical protein 0.0162 0.4156 0.6101
Entamoeba histolytica hypothetical protein 0.0038 0.0504 0.5
Schistosoma mansoni voltage-gated potassium channel 0.0098 0.2262 0.2262
Brugia malayi Pax transcription factor protein 2 0.0252 0.6791 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0062 0.1232 0.1232
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0106 0.2518 0.3677
Loa Loa (eye worm) hypothetical protein 0.0052 0.0918 0.131
Brugia malayi Bromodomain containing protein 0.004 0.0575 0.0621
Schistosoma mansoni hypothetical protein 0.0361 1 1
Onchocerca volvulus 0.0252 0.6791 1
Leishmania major ion transport protein-like protein 0.0114 0.273 0.5
Loa Loa (eye worm) hypothetical protein 0.0074 0.1571 0.2276
Schistosoma mansoni hypothetical protein 0.0034 0.0386 0.0386
Echinococcus multilocularis tumor protein p63 0.0354 0.9777 0.9777
Schistosoma mansoni hypothetical protein 0.0034 0.0386 0.0386
Loa Loa (eye worm) hypothetical protein 0.0034 0.0386 0.0522
Loa Loa (eye worm) hypothetical protein 0.0045 0.0709 0.1
Echinococcus granulosus fetal alzheimer antigen falz 0.0024 0.0091 0.0091
Loa Loa (eye worm) latrophilin receptor protein 2 0.0034 0.0386 0.0522
Schistosoma mansoni hypothetical protein 0.0361 1 1
Schistosoma mansoni hypothetical protein 0.0034 0.0386 0.0386
Echinococcus multilocularis potassium voltage gated channel subfamily A 0.0093 0.2137 0.2137
Echinococcus multilocularis muscleblind protein 1 0.0162 0.4156 0.4156
Brugia malayi Muscleblind-like protein 0.0162 0.4156 0.6024
Brugia malayi hypothetical protein 0.0038 0.0504 0.0513
Schistosoma mansoni hypothetical protein 0.0073 0.1531 0.1531
Echinococcus granulosus potassium voltage gated channel protein 0.0098 0.2262 0.2262
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0038 0.0504 0.0504
Loa Loa (eye worm) pax transcription factor protein 2 0.0252 0.6791 1
Schistosoma mansoni bromodomain containing protein 0.0066 0.1342 0.1342
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0034 0.0386 0.0386
Trypanosoma cruzi ion transport protein, putative 0.0114 0.273 0.5
Schistosoma mansoni cellular tumor antigen P53 0.0052 0.0918 0.0918
Echinococcus granulosus small conductance calcium activated potassium 0.0134 0.3334 0.3334
Loa Loa (eye worm) hypothetical protein 0.0106 0.2518 0.3677
Entamoeba histolytica hypothetical protein 0.0038 0.0504 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0038 0.0504 0.0504
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0038 0.0502 0.0502
Echinococcus multilocularis small conductance calcium activated potassium 0.0134 0.3334 0.3334
Loa Loa (eye worm) hypothetical protein 0.0134 0.3334 0.4885

Activities

Activity type Activity value Assay description Source Reference
Potency (binding) = 22.3872 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) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) 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
Potency (functional) 89.1251 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) 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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