Detailed information for compound 832209

Basic information

Technical information
  • TDR Targets ID: 832209
  • Name: 1-(4-ethylthieno[2,3-d]pyrrole-5-carbonyl)-N- [(4-methoxyphenyl)methyl]piperidine-4-carboxa mide
  • MW: 425.544 | Formula: C23H27N3O3S
  • H donors: 1 H acceptors: 2 LogP: 3.1 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)CNC(=O)C1CCN(CC1)C(=O)c1cc2c(n1CC)ccs2
  • InChi: 1S/C23H27N3O3S/c1-3-26-19-10-13-30-21(19)14-20(26)23(28)25-11-8-17(9-12-25)22(27)24-15-16-4-6-18(29-2)7-5-16/h4-7,10,13-14,17H,3,8-9,11-12,15H2,1-2H3,(H,24,27)
  • InChiKey: QLONNRGCFSVABQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-[(4-ethyl-5-thieno[2,3-d]pyrrolyl)-oxomethyl]-N-[(4-methoxyphenyl)methyl]-4-piperidinecarboxamide
  • 1-(4-ethylthieno[2,3-d]pyrrole-5-carbonyl)-N-(4-methoxybenzyl)isonipecotamide
  • 1-(4-ethylthieno[2,3-d]pyrrol-5-yl)carbonyl-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium ulcerans ATPase 0.0748 0.5782 0.5
Entamoeba histolytica transitional endoplasmic reticulum ATPase, putative 0.1186 0.9459 1
Loa Loa (eye worm) VCP protein 0.0517 0.3839 0.6788
Mycobacterium tuberculosis Putative conserved ATPase 0.0748 0.5782 0.5
Trypanosoma brucei Valosin-containing protein 0.1186 0.9459 1
Brugia malayi ATPase, AAA family protein 0.0064 0.0035 0.0062
Toxoplasma gondii transitional endoplasmic reticulum ATPase, putative 0.0748 0.5781 0.5767
Brugia malayi fidgetin protein 0.0064 0.0035 0.0062
Trypanosoma cruzi vacuolar transport protein 4A, putative 0.0064 0.0035 0.0000043848
Schistosoma mansoni cell division control protein 48 aaa family protein 0.1186 0.9459 0.9457
Echinococcus multilocularis transitional endoplasmic reticulum atpase 0.125 1 1
Giardia lamblia AAA family ATPase 0.0748 0.5782 1
Loa Loa (eye worm) ATPase 0.0064 0.0035 0.0062
Brugia malayi vps4b-prov protein 0.0064 0.0035 0.0062
Toxoplasma gondii cell division protein CDC48AP 0.0748 0.5782 0.5767
Plasmodium falciparum cell division cycle protein 48 homologue, putative 0.1186 0.9459 1
Schistosoma mansoni cell division control protein 48 aaa family protein 0.125 1 1
Brugia malayi valosin containing protein 0.0733 0.5655 1
Echinococcus multilocularis transitional endoplasmic reticulum atpase 0.0517 0.3839 0.3817
Brugia malayi transitional endoplasmic reticulum ATPase TER94, putative 0.0517 0.3839 0.6788
Trichomonas vaginalis spermatogenesis associated factor, putative 0.125 1 1
Trypanosoma cruzi katanin, putative 0.0064 0.0035 0.0000043848
Loa Loa (eye worm) hypothetical protein 0.0733 0.5655 1
Trypanosoma cruzi katanin-like protein, putative 0.0064 0.0035 0.0000043848
Trypanosoma cruzi katanin, putative 0.0064 0.0035 0.0000043848
Trypanosoma cruzi katanin, putative 0.0064 0.0035 0.0000043848
Plasmodium vivax cell division cycle protein 48 homologue, putative 0.1186 0.9459 1
Onchocerca volvulus Transitional endoplasmic reticulum ATPase homolog 0.125 1 0.5
Trichomonas vaginalis proteasome-activating nucleotidase, putative 0.0295 0.1978 0.195
Trypanosoma cruzi Valosin-containing protein, putative 0.1186 0.9459 1
Loa Loa (eye worm) fidgetin protein 0.0064 0.0035 0.0062
Entamoeba histolytica cdc48-like protein, putative 0.1186 0.9459 1
Loa Loa (eye worm) vps4b-prov protein 0.0064 0.0035 0.0062
Trypanosoma cruzi metalloprotease, putative 0.0064 0.0035 0.0000043848
Loa Loa (eye worm) vesicle-fusing ATPase 0.0733 0.5655 1
Schistosoma mansoni cell division control protein 48 aaa family protein 0.0517 0.3839 0.3817
Trypanosoma cruzi katanin, putative 0.0064 0.0035 0.0000043848
Trichomonas vaginalis 26S protease regulatory subunit S10b, putative 0.0295 0.1978 0.195
Trypanosoma cruzi vesicular transport protein (CDC48 homologue), putative 0.0064 0.0035 0.0000043848
Trypanosoma cruzi katanin, putative 0.0064 0.0035 0.0000043848
Brugia malayi vesicle-fusing ATPase 0.0733 0.5655 1
Leishmania major Transitional endoplasmic reticulum ATPase, putative,valosin-containing protein homolog 0.1186 0.9459 1
Brugia malayi SAP1 protein 0.0064 0.0035 0.0062
Toxoplasma gondii cell division protein CDC48CY 0.125 1 1
Trypanosoma cruzi vacuolar protein sorting-associated protein 4, putative 0.0064 0.0035 0.0000043848

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 10.4179 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) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 17.7828 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) = 100 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 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
Homo sapiens ChEMBL23
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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