Detailed information for compound 1312463

Basic information

Technical information
  • TDR Targets ID: 1312463
  • Name: 1-[2-(cyclopentylcarbamoylamino)-2-oxoethyl]p iperidine-4-carboxamide
  • MW: 296.365 | Formula: C14H24N4O3
  • H donors: 3 H acceptors: 3 LogP: 0.41 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(NC(=O)NC1CCCC1)CN1CCC(CC1)C(=O)N
  • InChi: 1S/C14H24N4O3/c15-13(20)10-5-7-18(8-6-10)9-12(19)17-14(21)16-11-3-1-2-4-11/h10-11H,1-9H2,(H2,15,20)(H2,16,17,19,21)
  • InChiKey: GZXTYEOBIRFELM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[2-(cyclopentylcarbamoylamino)-2-oxo-ethyl]piperidine-4-carboxamide
  • 1-[2-[[(cyclopentylamino)-oxomethyl]amino]-2-oxoethyl]-4-piperidinecarboxamide
  • 1-[2-(cyclopentylcarbamoylamino)-2-keto-ethyl]isonipecotamide
  • T5221206
  • MLS001006535
  • SMR000349534

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific demethylase 4E 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
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Plasmodium vivax enoyl-acyl carrier protein reductase 0.021 0.8716 0.5
Leishmania major oxidoreductase-like protein 0.023 1 1
Echinococcus multilocularis 3 oxoacyl acyl carrier protein reductase 0.021 0.8716 1
Loa Loa (eye worm) hypothetical protein 0.021 0.8716 1
Schistosoma mansoni dihydropteridine reductase 0.021 0.8716 1
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.021 0.8716 1
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.021 0.8716 0.5
Mycobacterium leprae 3-OXOACYL-[ACYL-CARRIER PROTEIN] REDUCTASE FABG1 (3-KETOACYL-ACYL CARRIER PROTEIN REDUCTASE) (MYCOLIC ACID BIOSYNTHESIS A PROTEI 0.021 0.8716 0.5
Trichomonas vaginalis hypothetical protein 0.021 0.8716 0.5
Mycobacterium leprae POSSIBLE OXIDOREDUCTASE 0.021 0.8716 0.5
Plasmodium falciparum 3-oxoacyl-[acyl-carrier-protein] reductase 0.021 0.8716 0.5
Trypanosoma cruzi oxidoreductase-like protein, putative 0.023 1 1
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.021 0.8716 1
Toxoplasma gondii 2,4-dienoyl CoA reductase 2, peroxisomal family protein 0.023 1 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.023 1 1
Mycobacterium tuberculosis Probable oxidoreductase 0.023 1 1
Mycobacterium ulcerans short chain dehydrogenase 0.023 1 1
Wolbachia endosymbiont of Brugia malayi Short-chain alcohol dehydrogenase family enzyme 0.021 0.8716 0.5
Loa Loa (eye worm) retinol dehydrogenase 12 0.021 0.8716 1
Chlamydia trachomatis enoyl-acyl-carrier protein reductase 0.021 0.8716 0.5
Onchocerca volvulus 0.023 1 1
Mycobacterium ulcerans 3-alpha-hydroxysteroid dehydrogenase 0.023 1 1
Trypanosoma brucei oxidoreductase-like protein 0.023 1 1
Entamoeba histolytica 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.021 0.8716 0.5
Schistosoma mansoni 3-oxoacyl-[ACP] reductase 0.021 0.8716 1
Loa Loa (eye worm) oxidoreductase 0.021 0.8716 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.023 1 1
Plasmodium falciparum enoyl-acyl carrier reductase 0.021 0.8716 0.5
Chlamydia trachomatis oxoacy-ACP reductase 0.021 0.8716 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.021 0.8716 1
Echinococcus granulosus 3 oxoacyl acyl carrier protein reductase 0.021 0.8716 1
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.021 0.8716 0.5
Plasmodium vivax 3-oxoacyl-[acyl-carrier-protein] reductase, putative 0.021 0.8716 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 1 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 4.6535 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 18.526 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) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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