Detailed information for compound 1275078

Basic information

Technical information
  • TDR Targets ID: 1275078
  • Name: ethyl 1-[[2-(4-aminophenoxy)-1,3-thiazol-5-yl ]methyl]piperidine-4-carboxylate
  • MW: 361.459 | Formula: C18H23N3O3S
  • H donors: 1 H acceptors: 2 LogP: 2.72 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)C1CCN(CC1)Cc1cnc(s1)Oc1ccc(cc1)N
  • InChi: 1S/C18H23N3O3S/c1-2-23-17(22)13-7-9-21(10-8-13)12-16-11-20-18(25-16)24-15-5-3-14(19)4-6-15/h3-6,11,13H,2,7-10,12,19H2,1H3
  • InChiKey: LOSDBVXAMMSZHF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ethyl 1-[[2-(4-aminophenoxy)thiazol-5-yl]methyl]piperidine-4-carboxylate
  • 1-[[2-(4-aminophenoxy)-5-thiazolyl]methyl]-4-piperidinecarboxylic acid ethyl ester
  • 1-[[2-(4-aminophenoxy)thiazol-5-yl]methyl]isonipecotic acid ethyl ester
  • SMR000180586
  • ethyl 1-{[2-(4-aminophenoxy)-1,3-thiazol-5-yl]methyl}-4-piperidinecarboxylate
  • 10R-0663
  • MLS000327602

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens tumor protein p53 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0041 0.0022
Schistosoma mansoni amine GPCR 0.1125 0.3274 0.3261
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.3334 1 0.5
Echinococcus granulosus Protein patched homolog 1 0.1372 0.4029 0.4018
Mycobacterium ulcerans hydroxymethylglutaryl-coenzyme a (HMG-CoA) reductase 0.3334 1 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0063 0.0041 0.0041
Schistosoma mansoni niemann-pick C1 (NPC1) 0.1372 0.4029 0.4018
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.1372 0.4029 0.4029
Echinococcus multilocularis sterol regulatory element binding protein 0.1372 0.4029 0.4018
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0063 0.0041 0.0041
Brugia malayi RNA binding protein 0.0063 0.0041 0.0041
Brugia malayi CHE-14 protein 0.1372 0.4029 0.4029
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0018 0.0018
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0041 0.0022
Leishmania major 3-hydroxy-3-methylglutaryl-CoA reductase 0.3334 1 0.5
Echinococcus granulosus Niemann Pick C1 protein 0.1372 0.4029 0.4018
Onchocerca volvulus 0.006 0.0032 0.5
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0041 0.0022
Loa Loa (eye worm) hypothetical protein 0.006 0.0032 0.0032
Schistosoma mansoni cellular tumor antigen P53 0.006 0.0032 0.0014
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.1564 0.4612 1
Loa Loa (eye worm) hypothetical protein 0.3334 1 1
Giardia lamblia 3-hydroxy-3-methylglutaryl-coenzyme A reductase 0.1564 0.4612 0.5
Schistosoma mansoni patched 1 0.1372 0.4029 0.4018
Echinococcus multilocularis protein patched 0.1372 0.4029 0.4018
Echinococcus granulosus tumor protein p63 0.0408 0.1092 0.1076
Schistosoma mansoni hydroxymethylglutaryl-CoA reductase (NADPH) 0.3334 1 1
Echinococcus multilocularis protein dispatched 1 0.1372 0.4029 0.4018
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0041 0.0022
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0041 0.0022
Echinococcus multilocularis hydroxymethylglutaryl coenzyme A reductase 0.3334 1 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0018 0.0018
Echinococcus multilocularis tar DNA binding protein 0.0063 0.0041 0.0022
Echinococcus granulosus tar DNA binding protein 0.0063 0.0041 0.0022
Loa Loa (eye worm) RNA binding protein 0.0063 0.0041 0.0041
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.1564 0.4612 1
Brugia malayi MH2 domain containing protein 0.0118 0.0209 0.0209
Loa Loa (eye worm) TAR-binding protein 0.0063 0.0041 0.0041
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase 0.3334 1 0.5
Echinococcus multilocularis tumor protein p63 0.0408 0.1092 0.1076
Loa Loa (eye worm) hypothetical protein 0.1372 0.4029 0.4029
Echinococcus granulosus sterol regulatory element binding protein 0.1372 0.4029 0.4018
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.1564 0.4612 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0118 0.0209 0.0209
Echinococcus granulosus hydroxymethylglutaryl coenzyme A reductase 0.3334 1 1
Trypanosoma brucei 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.3334 1 0.5
Echinococcus multilocularis Niemann Pick C1 protein 0.1372 0.4029 0.4018
Brugia malayi TAR-binding protein 0.0063 0.0041 0.0041
Loa Loa (eye worm) transcription factor SMAD2 0.0118 0.0209 0.0209

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.2944 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) 5.6234 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.9526 uM PUBCHEM_BIOASSAY: qHTS assay for re-activators of p53 using a Luc reporter. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504709] ChEMBL. No reference
Potency (functional) 20.5878 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 25.929 uM PUBCHEM_BIOASSAY: qHTS assay of beta-arrestin-biased ligands of beta2-adrenergic receptor. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID485366, AID485386, AID504448, AID504454, AID504459] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) 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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