Detailed information for compound 255571

Basic information

Technical information
  • TDR Targets ID: 255571
  • Name: N-[1-[3-[4-(3-aminopropoxy)butoxy]propylamino ]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]butana mide
  • MW: 437.573 | Formula: C23H39N3O5
  • H donors: 4 H acceptors: 3 LogP: 1.54 Rotable bonds: 20
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCC(=O)NC(C(=O)NCCCOCCCCOCCCN)Cc1ccc(cc1)O
  • InChi: 1S/C23H39N3O5/c1-2-7-22(28)26-21(18-19-8-10-20(27)11-9-19)23(29)25-13-6-17-31-15-4-3-14-30-16-5-12-24/h8-11,21,27H,2-7,12-18,24H2,1H3,(H,25,29)(H,26,28)
  • InChiKey: YOQQIOOBCPPRML-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[2-[3-[4-(3-aminopropoxy)butoxy]propylamino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]butanamide
  • N-[2-[3-[4-(3-aminopropoxy)butoxy]propylamino]-1-[(4-hydroxyphenyl)methyl]-2-oxoethyl]butanamide
  • N-[1-[3-[4-(3-azanylpropoxy)butoxy]propylamino]-3-(4-hydroxyphenyl)-1-oxo-propan-2-yl]butanamide
  • N-[2-[3-[4-(3-aminopropoxy)butoxy]propylamino]-1-(4-hydroxybenzyl)-2-keto-ethyl]butyramide
  • N-[1-[3-[4-(3-aminopropoxy)butoxy]propylamino]-3-(4-hydroxyphenyl)-1-oxo-propan-2-yl]butanamide

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
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0025 0.6271 0.6271
Echinococcus multilocularis glycine receptor subunit alpha 1 0.003 1 1
Brugia malayi nuclear hormone receptor 0.0025 0.6271 0.6271
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.003 1 1
Loa Loa (eye worm) hypothetical protein 0.003 1 1
Loa Loa (eye worm) hypothetical protein 0.003 1 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0025 0.6271 0.6271
Loa Loa (eye worm) hypothetical protein 0.003 1 1
Brugia malayi ecdysteroid receptor 0.0025 0.6271 0.6271
Loa Loa (eye worm) hypothetical protein 0.003 1 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0025 0.6271 0.6271
Brugia malayi Cation transporter family protein 0.003 1 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0025 0.6271 0.6271
Echinococcus multilocularis glycine receptor subunit alpha 1 0.003 1 1
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.003 1 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0025 0.6271 0.6271
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0025 0.6271 0.6271
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.003 1 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0025 0.6271 0.6271
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.003 1 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0025 0.6271 0.6271
Brugia malayi Nuclear hormone receptor-like 1 0.0025 0.6271 0.6271
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.003 1 1
Loa Loa (eye worm) steroid hormone receptor 0.0025 0.6271 0.6271
Loa Loa (eye worm) hypothetical protein 0.003 1 1
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.003 1 1
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.003 1 1
Schistosoma mansoni nAChR subunit 0.003 1 1
Loa Loa (eye worm) hypothetical protein 0.003 1 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.6271 0.6271
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0025 0.6271 0.6271
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.003 1 1
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.003 1 1
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.003 1 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0025 0.6271 0.6271
Loa Loa (eye worm) hypothetical protein 0.0025 0.6271 0.6271
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.003 1 1
Echinococcus granulosus glycine receptor subunit beta 0.003 1 1
Echinococcus granulosus nAChR subunit 0.003 1 1
Onchocerca volvulus Putative nachr subunit 0.003 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0025 0.6271 0.6271
Loa Loa (eye worm) hypothetical protein 0.003 1 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0025 0.6271 0.6271
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0025 0.6271 0.6271
Loa Loa (eye worm) hypothetical protein 0.003 1 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.6271 0.6271
Schistosoma mansoni steroid hormone receptor ad4bp 0.0025 0.6271 0.6271
Echinococcus granulosus glycine receptor subunit alpha 1 0.003 1 1
Echinococcus granulosus ecdysone induced protein 78C 0.0025 0.6271 0.6271
Loa Loa (eye worm) hypothetical protein 0.0025 0.6271 0.6271
Schistosoma mansoni retinoic acid receptor RXR 0.0025 0.6271 0.6271
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.003 1 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0025 0.6271 0.6271
Echinococcus granulosus glycine receptor subunit alpha 1 0.003 1 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0025 0.6271 0.6271
Schistosoma mansoni nAChR subunit 0.003 1 1
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.003 1 1
Loa Loa (eye worm) hypothetical protein 0.003 1 1
Loa Loa (eye worm) hypothetical protein 0.003 1 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0025 0.6271 0.6271
Loa Loa (eye worm) ACC-1 protein 0.003 1 1
Schistosoma mansoni nAChR subunit 0.003 1 1
Schistosoma mansoni RAR-like nuclear receptor 0.0025 0.6271 0.6271
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0025 0.6271 0.6271
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.003 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0025 0.6271 0.6271
Onchocerca volvulus 0.0025 0.6271 0.6271
Echinococcus multilocularis FTZ F1 alpha 0.0025 0.6271 0.6271
Echinococcus granulosus glycine receptor subunit beta 0.003 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0025 0.6271 0.6271
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0025 0.6271 0.6271
Loa Loa (eye worm) hypothetical protein 0.003 1 1
Schistosoma mansoni thyroid hormone receptor 0.0025 0.6271 0.6271
Brugia malayi Cation transporter family protein 0.003 1 1
Onchocerca volvulus 0.003 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0025 0.6271 0.6271
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.003 1 1
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.003 1 1
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.003 1 1
Loa Loa (eye worm) LGC-31 protein 0.003 1 1
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.003 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0025 0.6271 0.6271
Loa Loa (eye worm) hypothetical protein 0.003 1 1
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.003 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0025 0.6271 0.6271
Loa Loa (eye worm) hypothetical protein 0.0025 0.6271 0.6271
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.003 1 1
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.003 1 1
Onchocerca volvulus Bile acid receptor homolog 0.0025 0.6271 0.6271
Onchocerca volvulus 0.003 1 1
Schistosoma mansoni coup transcription factor 0.0025 0.6271 0.6271
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.003 1 1
Schistosoma mansoni thyroid hormone receptor 0.0025 0.6271 0.6271
Onchocerca volvulus 0.003 1 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0025 0.6271 0.6271
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.003 1 1
Schistosoma mansoni nAChR subunit 0.003 1 1
Loa Loa (eye worm) hypothetical protein 0.003 1 1
Echinococcus granulosus FTZ F1 alpha 0.0025 0.6271 0.6271
Brugia malayi Steroid receptor seven-up type 2 0.0025 0.6271 0.6271
Loa Loa (eye worm) hypothetical protein 0.003 1 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0025 0.6271 0.6271
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0025 0.6271 0.6271
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.003 1 1
Loa Loa (eye worm) hypothetical protein 0.003 1 1
Brugia malayi Cation transporter family protein 0.003 1 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.003 1 1
Echinococcus multilocularis nAChR subunit 0.003 1 1
Schistosoma mansoni nuclear hormone receptor 0.0025 0.6271 0.6271
Brugia malayi steroid hormone receptor 0.0025 0.6271 0.6271
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.003 1 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.6271 0.6271
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.003 1 1
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.003 1 1
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.003 1 1
Onchocerca volvulus 0.003 1 1
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.003 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0025 0.6271 0.6271
Loa Loa (eye worm) hypothetical protein 0.003 1 1
Loa Loa (eye worm) hypothetical protein 0.003 1 1
Schistosoma mansoni nAChR subunit 0.003 1 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0025 0.6271 0.6271
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0025 0.6271 0.6271
Loa Loa (eye worm) ACC-1 protein 0.003 1 1
Echinococcus multilocularis glycine receptor subunit beta 0.003 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0025 0.6271 0.6271
Loa Loa (eye worm) hypothetical protein 0.0025 0.6271 0.6271
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0025 0.6271 0.6271
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0025 0.6271 0.6271
Echinococcus multilocularis glycine receptor subunit alpha 1 0.003 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0025 0.6271 0.6271
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0025 0.6271 0.6271
Loa Loa (eye worm) hypothetical protein 0.003 1 1
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.003 1 1
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.003 1 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0025 0.6271 0.6271
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.003 1 1
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.003 1 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0025 0.6271 0.6271
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0025 0.6271 0.6271
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.003 1 1
Echinococcus granulosus glycine receptor subunit alpha 1 0.003 1 1
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.003 1 1
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.003 1 1
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.003 1 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0025 0.6271 0.6271
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.003 1 1
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.003 1 1
Brugia malayi nuclear receptor NHR-88 0.0025 0.6271 0.6271
Schistosoma mansoni nAChR subunit 0.003 1 1
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.003 1 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.003 1 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.6271 0.6271
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0025 0.6271 0.6271
Loa Loa (eye worm) hypothetical protein 0.003 1 1
Schistosoma mansoni nAChR subunit 0.003 1 1
Onchocerca volvulus 0.003 1 1
Entamoeba histolytica hypothetical protein 0.0016 0 0.5
Echinococcus multilocularis glycine receptor subunit beta 0.003 1 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0025 0.6271 0.6271
Echinococcus multilocularis thyroid hormone receptor alpha 0.0025 0.6271 0.6271
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0025 0.6271 0.6271
Onchocerca volvulus 0.003 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0025 0.6271 0.6271
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.003 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0025 0.6271 0.6271

Activities

Activity type Activity value Assay description Source Reference
pKa1 (functional) = 10.01 Proteolytic properties of the compound against human muscle type nicotinic Acetylcholine receptor (nAchr) from TE671 cells, expressed as acidity constant (pKa1) ChEMBL. 10602707
pKa1 (functional) = 10.01 Proteolytic properties of the compound against human muscle type nicotinic Acetylcholine receptor (nAchr) from TE671 cells, expressed as acidity constant (pKa1) ChEMBL. 10602707
pKa2 (functional) = 10.86 Proteolytic properties of the compound against human muscle type nicotinic Acetylcholine receptor(nAchr) from TE671 cells, expressed as acidity constant (pKa2) ChEMBL. 10602707
pKa2 (functional) = 10.86 Proteolytic properties of the compound against human muscle type nicotinic Acetylcholine receptor(nAchr) from TE671 cells, expressed as acidity constant (pKa2) ChEMBL. 10602707

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.

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