Detailed information for compound 30194

Basic information

Technical information
  • TDR Targets ID: 30194
  • Name: 1-[3-(4-benzylpiperazin-1-yl)propyl]-[1,3]oxa zolo[5,4-b]pyridin-2-one
  • MW: 352.43 | Formula: C20H24N4O2
  • H donors: 0 H acceptors: 2 LogP: 2.28 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=c1oc2c(n1CCCN1CCN(CC1)Cc1ccccc1)cccn2
  • InChi: 1S/C20H24N4O2/c25-20-24(18-8-4-9-21-19(18)26-20)11-5-10-22-12-14-23(15-13-22)16-17-6-2-1-3-7-17/h1-4,6-9H,5,10-16H2
  • InChiKey: RTBSDNIHOMVOID-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-[3-(4-benzylpiperazin-1-yl)propyl]oxazolo[5,4-b]pyridin-2-one
  • 1-[3-(4-benzyl-1-piperazinyl)propyl]-2-oxazolo[5,4-b]pyridinone
  • 1-[3-[4-(phenylmethyl)piperazin-1-yl]propyl]-[1,3]oxazolo[5,4-b]pyridin-2-one
  • 1-[3-(4-benzylpiperazino)propyl]oxazolo[5,4-b]pyridin-2-one
  • 1-[3-[4-(phenylmethyl)piperazin-1-yl]propyl]oxazolo[5,4-b]pyridin-2-one
  • 1-[3-[4-(phenylmethyl)-1-piperazinyl]propyl]-2-oxazolo[5,4-b]pyridinone
  • 1-[3-[4-(benzyl)piperazin-1-yl]propyl]oxazolo[5,4-b]pyridin-2-one

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
Loa Loa (eye worm) fli-1 protein 0.0217 0.8753 0.8753
Loa Loa (eye worm) DR-78 0.0086 0.224 0.224
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0182 0.7037 0.7037
Brugia malayi Nuclear hormone receptor E75 0.0086 0.224 0.224
Brugia malayi conserved hypotetical protein 0.0086 0.224 0.224
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0055 0.0705 0.0705
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0041 0 0.5
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0096 0.2753 0.2753
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.1066 0.1066
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0182 0.7037 0.7037
Schistosoma mansoni hypothetical protein 0.0068 0.1355 0.1355
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0182 0.7037 0.7037
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0096 0.2753 0.2753
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0182 0.7037 0.7037
Brugia malayi Steroid receptor seven-up type 2 0.0182 0.7037 0.7037
Echinococcus granulosus ecdysone induced protein 78C 0.0182 0.7037 0.7037
Loa Loa (eye worm) hypothetical protein 0.0086 0.224 0.224
Schistosoma mansoni coup transcription factor 0.0182 0.7037 0.7037
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0086 0.224 0.224
Mycobacterium ulcerans carbon monoxide dehydrogenase 0.0115 0.3673 1
Loa Loa (eye worm) hypothetical protein 0.0096 0.2753 0.2753
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0182 0.7037 0.7037
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0086 0.224 0.224
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0182 0.7037 0.7037
Schistosoma mansoni steroid hormone receptor ad4bp 0.0182 0.7037 0.7037
Brugia malayi Nuclear hormone receptor E75 0.0086 0.224 0.224
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0182 0.7037 0.7037
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0055 0.0705 0.0705
Brugia malayi ecdysteroid receptor 0.0182 0.7037 0.7037
Echinococcus granulosus jun protein 0.0084 0.2139 0.2139
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0182 0.7037 0.7037
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0086 0.224 0.224
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0096 0.2753 0.2753
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0084 0.2139 0.2139
Loa Loa (eye worm) hypothetical protein 0.0182 0.7037 0.7037
Brugia malayi orphan nuclear receptor NR2E1 0.0086 0.224 0.224
Loa Loa (eye worm) hypothetical protein 0.0242 1 1
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.1066 0.1066
Brugia malayi hypothetical protein 0.0086 0.224 0.224
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0182 0.7037 0.7037
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0182 0.7037 0.7037
Loa Loa (eye worm) hypothetical protein 0.0182 0.7037 0.7037
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0182 0.7037 0.7037
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1066 0.1066
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0182 0.7037 0.7037
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0182 0.7037 0.7037
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0071 0.1512 0.1512
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0182 0.7037 0.7037
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0086 0.224 0.224
Onchocerca volvulus 0.0242 1 1
Brugia malayi nuclear hormone receptor 0.0182 0.7037 0.7037
Brugia malayi photoreceptor-specific nuclear receptor 0.0182 0.7037 0.7037
Echinococcus granulosus Nuclear hormone receptor HR96 0.0086 0.224 0.224
Brugia malayi TAR-binding protein 0.0062 0.1066 0.1066
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1066 0.1066
Schistosoma mansoni sodium/chloride dependent transporter 0.0242 1 1
Echinococcus granulosus nuclear receptor nhr 48 0.0086 0.224 0.224
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0086 0.224 0.224
Echinococcus granulosus tar DNA binding protein 0.0062 0.1066 0.1066
Loa Loa (eye worm) hypothetical protein 0.0182 0.7037 0.7037
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0182 0.7037 0.7037
Brugia malayi nuclear receptor RXR 0.0096 0.2753 0.2753
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0182 0.7037 0.7037
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0182 0.7037 0.7037
Plasmodium falciparum transporter, putative 0.0041 0 0.5
Mycobacterium ulcerans carbon monoxyde dehydrogenase large chain CoxL 0.0082 0.2025 0.4783
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0086 0.224 0.224
Schistosoma mansoni nuclear hormone receptor 0.0182 0.7037 0.7037
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0182 0.7037 0.7037
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0182 0.7037 0.7037
Echinococcus multilocularis serotonin transporter 0.0242 1 1
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0086 0.224 0.224
Trichomonas vaginalis aldehyde oxidase, putative 0.0173 0.6587 0.5
Echinococcus multilocularis tar DNA binding protein 0.0062 0.1066 0.1066
Loa Loa (eye worm) nuclear hormone receptor 0.0086 0.224 0.224
Schistosoma mansoni thyroid hormone receptor 0.0182 0.7037 0.7037
Brugia malayi bZIP transcription factor family protein 0.0084 0.2139 0.2139
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0182 0.7037 0.7037
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0086 0.224 0.224
Loa Loa (eye worm) hypothetical protein 0.0096 0.2753 0.2753
Loa Loa (eye worm) hypothetical protein 0.0182 0.7037 0.7037
Schistosoma mansoni gabp alpha 0.0071 0.1512 0.1512
Schistosoma mansoni nuclear receptor nhr-48 0.0086 0.224 0.224
Brugia malayi Nuclear hormone receptor-like 1 0.0182 0.7037 0.7037
Echinococcus multilocularis thyroid hormone receptor alpha 0.0182 0.7037 0.7037
Echinococcus granulosus GA binding protein alpha chain 0.0071 0.1512 0.1512
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0182 0.7037 0.7037
Brugia malayi RNA binding protein 0.0062 0.1066 0.1066
Echinococcus multilocularis jun protein 0.0084 0.2139 0.2139
Loa Loa (eye worm) hypothetical protein 0.0086 0.224 0.224
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0182 0.7037 0.7037
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0182 0.7037 0.7037
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0202 0.0202
Brugia malayi Nuclear hormone receptor-like 1 0.0096 0.2753 0.2753
Toxoplasma gondii hypothetical protein 0.0041 0 0.5
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0041 0 0.5
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0096 0.2753 0.2753
Brugia malayi ecdysone receptor 0.0086 0.224 0.224
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0086 0.224 0.224
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0182 0.7037 0.7037
Brugia malayi hypothetical protein 0.0086 0.224 0.224
Loa Loa (eye worm) hypothetical protein 0.0086 0.224 0.224
Echinococcus granulosus thyroid hormone receptor alpha 0.0086 0.224 0.224
Trichomonas vaginalis xanthine dehydrogenase, putative 0.0173 0.6587 0.5
Plasmodium vivax hypothetical protein, conserved 0.0041 0 0.5
Loa Loa (eye worm) norepinephrine transporter 0.0242 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0202 0.0202
Schistosoma mansoni nuclear hormone receptor 0.0086 0.224 0.224
Brugia malayi hypothetical protein 0.0096 0.2753 0.2753
Echinococcus granulosus Nuclear hormone receptor HR96 0.0086 0.224 0.224
Schistosoma mansoni retinoic acid receptor RXR 0.0182 0.7037 0.7037
Brugia malayi hypothetical protein 0.0066 0.124 0.124
Brugia malayi Cytochrome P450 family protein 0.0049 0.0385 0.0385
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0086 0.224 0.224
Loa Loa (eye worm) TAR-binding protein 0.0062 0.1066 0.1066
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0182 0.7037 0.7037
Echinococcus multilocularis FTZ F1 alpha 0.0182 0.7037 0.7037
Schistosoma mansoni nuclear receptor 0.0086 0.224 0.224
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0182 0.7037 0.7037
Mycobacterium tuberculosis Probable carbon monoxyde dehydrogenase (large chain) 0.0082 0.2025 1
Brugia malayi Fli-1 protein 0.0217 0.8753 0.8753
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0182 0.7037 0.7037
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0182 0.7037 0.7037
Schistosoma mansoni thyroid hormone receptor 0.0182 0.7037 0.7037
Loa Loa (eye worm) hypothetical protein 0.0086 0.224 0.224
Loa Loa (eye worm) hypothetical protein 0.0086 0.224 0.224
Loa Loa (eye worm) serotonin transporter b 0.0242 1 1
Brugia malayi Ets-domain containing protein 0.0071 0.1512 0.1512
Loa Loa (eye worm) hypothetical protein 0.0086 0.224 0.224
Loa Loa (eye worm) hypothetical protein 0.0082 0.2024 0.2024
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0202 0.0202
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0242 1 1
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0041 0 0.5
Plasmodium falciparum amino acid transporter, putative 0.0041 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0182 0.7037 0.7037
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1066 0.1066
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0202 0.0202
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0182 0.7037 0.7037
Loa Loa (eye worm) steroid hormone receptor 0.0182 0.7037 0.7037
Loa Loa (eye worm) hypothetical protein 0.0096 0.2753 0.2753
Loa Loa (eye worm) hypothetical protein 0.0086 0.224 0.224
Onchocerca volvulus Protein ultraspiracle homolog 0.0182 0.7037 0.7037
Onchocerca volvulus Bile acid receptor homolog 0.0182 0.7037 0.7037
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0182 0.7037 0.7037
Loa Loa (eye worm) hypothetical protein 0.0086 0.224 0.224
Loa Loa (eye worm) RNA binding protein 0.0062 0.1066 0.1066
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0086 0.224 0.224
Brugia malayi steroid hormone receptor 0.0182 0.7037 0.7037
Loa Loa (eye worm) nuclear receptor NHR-67 0.0086 0.224 0.224
Loa Loa (eye worm) hypothetical protein 0.0086 0.224 0.224
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0182 0.7037 0.7037
Brugia malayi nuclear receptor NHR-88 0.0182 0.7037 0.7037
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0182 0.7037 0.7037
Loa Loa (eye worm) hypothetical protein 0.0086 0.224 0.224
Onchocerca volvulus 0.0066 0.124 0.124
Schistosoma mansoni RAR-like nuclear receptor 0.0182 0.7037 0.7037
Brugia malayi nuclear receptor NHR-88 0.0086 0.224 0.224
Schistosoma mansoni nuclear hormone receptor 0.0086 0.224 0.224
Mycobacterium ulcerans aerobic-type carbon monoxide dehydrogenase subunit CoxM_2 0.0059 0.0869 0.1125
Brugia malayi nuclear receptor RXR 0.0086 0.224 0.224
Loa Loa (eye worm) hypothetical protein 0.0096 0.2753 0.2753
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0041 0 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0202 0.0202
Loa Loa (eye worm) hypothetical protein 0.0182 0.7037 0.7037
Brugia malayi nuclear receptor NHR-67 0.0086 0.224 0.224
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0084 0.2139 0.2139
Loa Loa (eye worm) hypothetical protein 0.0096 0.2753 0.2753
Schistosoma mansoni jun-related protein 0.0068 0.1355 0.1355
Loa Loa (eye worm) solute carrier family 6 member 4 0.0242 1 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0182 0.7037 0.7037
Loa Loa (eye worm) hypothetical protein 0.0061 0.0996 0.0996
Brugia malayi hypothetical protein 0.0096 0.2753 0.2753
Loa Loa (eye worm) hypothetical protein 0.0086 0.224 0.224
Echinococcus multilocularis ecdysone induced protein 78C 0.0182 0.7037 0.7037
Echinococcus multilocularis GA binding protein alpha chain 0.0071 0.1512 0.1512
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0182 0.7037 0.7037
Brugia malayi nuclear hormone receptor 0.0086 0.224 0.224
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0202 0.0202
Loa Loa (eye worm) hypothetical protein 0.0242 1 1
Onchocerca volvulus 0.0086 0.224 0.224
Loa Loa (eye worm) cytochrome P450 family protein 0.0049 0.0385 0.0385
Schistosoma mansoni zinc finger protein 0.0086 0.224 0.224
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0182 0.7037 0.7037
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1066 0.1066
Loa Loa (eye worm) hypothetical protein 0.0182 0.7037 0.7037
Loa Loa (eye worm) hypothetical protein 0.0182 0.7037 0.7037
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0182 0.7037 0.7037
Toxoplasma gondii hypothetical protein 0.0041 0 0.5
Mycobacterium ulcerans aerobic-type carbon monoxide dehydrogenase subunit CoxL_2 0.0082 0.2025 0.4783
Brugia malayi tailless protein 0.0086 0.224 0.224
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0202 0.0202
Plasmodium vivax amine transporter, putative 0.0041 0 0.5
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0202 0.0202
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0182 0.7037 0.7037
Brugia malayi nuclear hormone receptor family member nhr-6 0.0086 0.224 0.224
Mycobacterium ulcerans carbon monoxyde dehydrogenase medium chain CoxM 0.0059 0.0869 0.1125
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0086 0.224 0.224
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0202 0.0202
Echinococcus granulosus FTZ F1 alpha 0.0182 0.7037 0.7037
Loa Loa (eye worm) hypothetical protein 0.0086 0.224 0.224
Treponema pallidum sodium- and chloride- dependent transporter 0.0242 1 0.5
Schistosoma mansoni ets-related 0.0217 0.8753 0.8753
Loa Loa (eye worm) hypothetical protein 0.0182 0.7037 0.7037
Trichomonas vaginalis xanthine dehydrogenase, putative 0.0173 0.6587 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0182 0.7037 0.7037
Brugia malayi nuclear hormone receptor family member odr-7 0.0086 0.224 0.224
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0182 0.7037 0.7037
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1066 0.1066
Loa Loa (eye worm) hypothetical protein 0.0086 0.224 0.224
Schistosoma mansoni nuclear receptor 0.0086 0.224 0.224
Echinococcus multilocularis nuclear receptor nhr 48 0.0086 0.224 0.224
Brugia malayi Nuclear hormone receptor-like 1 0.0096 0.2753 0.2753
Schistosoma mansoni lipoxygenase 0.0055 0.0705 0.0705
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0086 0.224 0.224
Loa Loa (eye worm) hypothetical protein 0.0242 1 1
Onchocerca volvulus 0.0182 0.7037 0.7037
Onchocerca volvulus 0.0086 0.224 0.224
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0096 0.2753 0.2753
Brugia malayi Ets-domain containing protein 0.0071 0.1512 0.1512
Echinococcus granulosus serotonin transporter 0.0242 1 1

Activities

Activity type Activity value Assay description Source Reference
Activity ratio (functional) = 0.2 Analgesic activity against acetic acid-induced writhing in the rat compared to that of aspirin. ChEMBL. 7731014
Activity ratio (functional) = 0.3 Analgesic activity against phenylquinone induced writhing in mice compared to that of aspirin. ChEMBL. 7731014
Inhibition (functional) = 12 % Inhibition of acetic acid induced writhing in rat following 50 mg/kg p.o. ChEMBL. 7731014
Inhibition (functional) = 14 % Inhibition of phenylquinone induced writhing in mice following 50 mg/kg p.o. ChEMBL. 7731014
Inhibition (functional) = 14 % Inhibition of phenylquinone induced writhing in mice following 50 mg/kg p.o. ChEMBL. 7731014

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

1 literature reference was collected for this gene.

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