Detailed information for compound 1495238

Basic information

Technical information
  • TDR Targets ID: 1495238
  • Name: N-cyclopentyl-4-[3-(3,4-dimethoxyphenyl)-1,2, 4-oxadiazol-5-yl]butanamide
  • MW: 359.42 | Formula: C19H25N3O4
  • H donors: 1 H acceptors: 3 LogP: 2.91 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(ccc1OC)c1noc(n1)CCCC(=O)NC1CCCC1
  • InChi: 1S/C19H25N3O4/c1-24-15-11-10-13(12-16(15)25-2)19-21-18(26-22-19)9-5-8-17(23)20-14-6-3-4-7-14/h10-12,14H,3-9H2,1-2H3,(H,20,23)
  • InChiKey: AXCWNLWDCSGLDI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-cyclopentyl-4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butyramide
  • ZINC02200568

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
Onchocerca volvulus 0.0096 1 1
Echinococcus granulosus neuropeptide Y receptor 0.0021 0 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0021 0 0.5
Echinococcus granulosus g protein coupled receptor 0.0021 0 0.5
Echinococcus multilocularis neuropeptide s receptor 0.0021 0 0.5
Brugia malayi Cytochrome P450 family protein 0.0022 0.0188 0.0188
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0021 0 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0021 0 0.5
Echinococcus granulosus neuropeptides capa receptor 0.0021 0 0.5
Echinococcus granulosus 7TM GPCR rhodopsin 0.0021 0 0.5
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0021 0 0.5
Echinococcus multilocularis neuropeptide receptor 0.0021 0 0.5
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0021 0 0.5
Echinococcus granulosus peptide allatostatin:somatostatin 0.0021 0 0.5
Echinococcus multilocularis sex peptide receptor 0.0021 0 0.5
Echinococcus multilocularis neuropeptide receptor 0.0021 0 0.5
Echinococcus granulosus g protein coupled receptor 0.0021 0 0.5
Echinococcus granulosus neuropeptide Y receptor 0.0021 0 0.5
Echinococcus granulosus 7tm_1 domain containing protein 0.0021 0 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0021 0 0.5
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0021 0 0.5
Onchocerca volvulus 0.0096 1 1
Echinococcus granulosus alpha 1A adrenergic receptor 0.0021 0 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0022 0.0188 0.0188
Echinococcus granulosus somatostatin receptor 0.0021 0 0.5
Echinococcus granulosus g protein coupled receptor 0.0021 0 0.5
Echinococcus granulosus dro:myosuppressin receptor 0.0021 0 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0021 0 0.5
Loa Loa (eye worm) ShTK domain-containing protein 0.0096 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0021 0 0.5
Echinococcus multilocularis g protein coupled receptor 0.0021 0 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0021 0 0.5
Echinococcus granulosus neuropeptides capa receptor 0.0021 0 0.5
Echinococcus granulosus biogenic amine 5HT receptor 0.0021 0 0.5
Echinococcus granulosus biogenic amine 5HT receptor 0.0021 0 0.5
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0021 0 0.5
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0021 0 0.5
Echinococcus multilocularis neuropeptides capa receptor 0.0021 0 0.5
Echinococcus granulosus neuropeptide receptor 0.0021 0 0.5
Echinococcus granulosus g-protein coupled receptor 0.0021 0 0.5
Echinococcus multilocularis neuropeptide Y receptor 0.0021 0 0.5
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0021 0 0.5
Echinococcus granulosus neuropeptide receptor A26 0.0021 0 0.5
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0021 0 0.5
Loa Loa (eye worm) tyrosinase 1 0.0096 1 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0021 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0096 1 1
Loa Loa (eye worm) hypothetical protein 0.0096 1 1
Onchocerca volvulus 0.0096 1 1
Echinococcus multilocularis g protein coupled receptor 0.0021 0 0.5
Echinococcus granulosus tm gpcr rhodopsin 0.0021 0 0.5
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0096 1 1
Onchocerca volvulus 0.0096 1 1
Echinococcus granulosus allatostatin A receptor 0.0021 0 0.5
Echinococcus multilocularis g-protein coupled receptor 0.0021 0 0.5
Echinococcus multilocularis serotonin receptor 0.0021 0 0.5
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0021 0 0.5
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0096 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0021 0 0.5
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0021 0 0.5
Echinococcus multilocularis fmrfamide receptor 0.0021 0 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0021 0 0.5
Echinococcus multilocularis somatostatin receptor 0.0021 0 0.5
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0096 1 1
Echinococcus multilocularis fmrfamide receptor 0.0021 0 0.5
Schistosoma mansoni tyrosinase precursor 0.0096 1 1
Echinococcus granulosus G protein coupled receptor 139 0.0021 0 0.5
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0021 0 0.5
Echinococcus granulosus neuropeptide s receptor 0.0021 0 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0021 0 0.5
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0021 0 0.5
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0021 0 0.5
Echinococcus granulosus neuropeptide receptor 0.0021 0 0.5
Echinococcus multilocularis neuropeptide Y receptor 0.0021 0 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0021 0 0.5
Echinococcus multilocularis orexin receptor type 2 0.0021 0 0.5
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0021 0 0.5
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0021 0 0.5
Echinococcus granulosus hypothetical protein 0.0021 0 0.5
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0021 0 0.5
Echinococcus multilocularis dro:myosuppressin receptor 0.0021 0 0.5
Echinococcus multilocularis neuropeptide FF receptor 2 0.0021 0 0.5
Echinococcus granulosus neuropeptide FF receptor 2 0.0021 0 0.5
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0021 0 0.5
Echinococcus multilocularis neuropeptide receptor A26 0.0021 0 0.5
Echinococcus granulosus serotonin receptor 0.0021 0 0.5
Schistosoma mansoni tyrosinase precursor 0.0096 1 1
Echinococcus multilocularis G protein coupled receptor 139 0.0021 0 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0021 0 0.5
Brugia malayi Hypothetical tyrosinase-like protein F21C3.2 in chromosome I 0.0096 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0021 0 0.5
Echinococcus multilocularis g protein coupled receptor 0.0021 0 0.5
Echinococcus granulosus sex peptide receptor 0.0021 0 0.5
Echinococcus multilocularis neuropeptides capa receptor 0.0021 0 0.5
Echinococcus multilocularis allatostatin A receptor 0.0021 0 0.5
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0021 0 0.5
Echinococcus granulosus tm gpcr rhodopsin 0.0021 0 0.5
Echinococcus multilocularis G-protein coupled receptor, putative 0.0021 0 0.5
Echinococcus granulosus orexin receptor type 2 0.0021 0 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0021 0 0.5
Loa Loa (eye worm) ShTK domain-containing protein 0.0096 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0021 0 0.5
Brugia malayi Common central domain of tyrosinase family protein 0.0096 1 1
Echinococcus granulosus tachykinin peptides receptor 99D 0.0021 0 0.5
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0021 0 0.5
Echinococcus granulosus tm gpcr rhodopsin 0.0021 0 0.5
Echinococcus multilocularis serotonin receptor 0.0021 0 0.5
Echinococcus granulosus fmrfamide receptor 0.0021 0 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0021 0 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.4716 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) 1.9953 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS Assay to Identify Small Molecule Activators of BRCA1 Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 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) 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

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
Homo sapiens 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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