Detailed information for compound 1282460
Basic information
Technical information
- TDR Targets ID: 1282460
- Name: N-[2-(formyl-(piperidin-1-ylmethyl)amino)ethy l]-N-(piperidin-1-ylmethyl)formamide
- MW: 310.435 | Formula: C16H30N4O2
-
H donors: 0
H acceptors: 2
LogP: 2.3
Rotable bonds: 9
Rule of 5 violations (Lipinski): 1 - SMILES: O=CN(CN1CCCCC1)CCN(CN1CCCCC1)C=O
- InChi: 1S/C16H30N4O2/c21-15-19(13-17-7-3-1-4-8-17)11-12-20(16-22)14-18-9-5-2-6-10-18/h15-16H,1-14H2
- InChiKey: LVRJYOIKHPLLSZ-UHFFFAOYSA-N
Network
Hover on a compound node to display the structore
Synonyms
- N-[2-(formyl-(1-piperidylmethyl)amino)ethyl]-N-(1-piperidylmethyl)formamide
- N-[2-(formyl-(piperidinomethyl)amino)ethyl]-N-(piperidinomethyl)formamide
- N-[2-(methanoyl-(piperidin-1-ylmethyl)amino)ethyl]-N-(piperidin-1-ylmethyl)methanamide
- MLS000113638
- SMR000109533
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Schistosoma mansoni | Thioredoxin glutathione reductase | Starlite/ChEMBL | No references |
| Homo sapiens | APEX nuclease (multifunctional DNA repair enzyme) 1 | Starlite/ChEMBL | No references |
| Homo sapiens | survival of motor neuron 2, centromeric | Starlite/ChEMBL | No references |
Predicted pathogen targets for this compound
By orthology
By sequence similarity to non orthologous known druggable targets
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Schistosoma mansoni | hypothetical protein | 0.0058 | 0.1352 | 0.2571 |
| Entamoeba histolytica | exodeoxyribonuclease III, putative | 0.0023 | 0 | 0.5 |
| Trichomonas vaginalis | ap endonuclease, putative | 0.0023 | 0 | 0.5 |
| Toxoplasma gondii | thioredoxin reductase | 0.0046 | 0.0874 | 1 |
| Mycobacterium tuberculosis | Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras | 0.0116 | 0.3543 | 1 |
| Onchocerca volvulus | 0.0058 | 0.1352 | 0.5 | |
| Mycobacterium tuberculosis | Probable reductase | 0.0104 | 0.31 | 0.8751 |
| Plasmodium falciparum | thioredoxin reductase | 0.0046 | 0.0874 | 1 |
| Trichomonas vaginalis | ap endonuclease, putative | 0.0023 | 0 | 0.5 |
| Mycobacterium tuberculosis | Probable membrane NADH dehydrogenase NdhA | 0.0104 | 0.31 | 0.8751 |
| Schistosoma mansoni | calcium-activated potassium channel | 0.0153 | 0.4961 | 0.9432 |
| Mycobacterium tuberculosis | Probable NADH dehydrogenase Ndh | 0.0104 | 0.31 | 0.8751 |
| Mycobacterium tuberculosis | Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB | 0.0104 | 0.31 | 0.8751 |
| Loa Loa (eye worm) | hypothetical protein | 0.0081 | 0.2206 | 0.2206 |
| Mycobacterium tuberculosis | NADPH-dependent mycothiol reductase Mtr | 0.0046 | 0.0874 | 0.2467 |
| Loa Loa (eye worm) | thioredoxin reductase | 0.0046 | 0.0874 | 0.0874 |
| Trypanosoma brucei | trypanothione reductase | 0.0046 | 0.0874 | 1 |
| Echinococcus multilocularis | thioredoxin glutathione reductase | 0.0046 | 0.0897 | 0.0897 |
| Echinococcus granulosus | small conductance calcium activated potassium | 0.0161 | 0.5259 | 0.5259 |
| Mycobacterium ulcerans | exodeoxyribonuclease III protein XthA | 0.0023 | 0 | 0.5 |
| Brugia malayi | glutathione reductase | 0.0046 | 0.0874 | 0.0874 |
| Loa Loa (eye worm) | hypothetical protein | 0.0286 | 1 | 1 |
| Echinococcus multilocularis | small conductance calcium activated potassium | 0.0161 | 0.5259 | 0.5259 |
| Schistosoma mansoni | survival motor neuron protein | 0.0058 | 0.1352 | 0.2571 |
| Giardia lamblia | Endonuclease/Exonuclease/phosphatase | 0.0023 | 0 | 0.5 |
| Schistosoma mansoni | hypothetical protein | 0.0161 | 0.5259 | 1 |
| Leishmania major | trypanothione reductase | 0.0046 | 0.0874 | 1 |
| Mycobacterium tuberculosis | Putative ferredoxin reductase | 0.0104 | 0.31 | 0.8751 |
| Schistosoma mansoni | calcium-activated potassium channel | 0.0161 | 0.5259 | 1 |
| Brugia malayi | Thioredoxin reductase | 0.0046 | 0.0874 | 0.0874 |
| Echinococcus granulosus | survival motor neuron protein 1 | 0.0286 | 1 | 1 |
| Mycobacterium tuberculosis | NAD(P)H quinone reductase LpdA | 0.0116 | 0.3543 | 1 |
| Echinococcus granulosus | thioredoxin glutathione reductase | 0.0046 | 0.0897 | 0.0897 |
| Mycobacterium tuberculosis | Probable oxidoreductase | 0.0116 | 0.3543 | 1 |
| Mycobacterium tuberculosis | Probable dehydrogenase | 0.0104 | 0.31 | 0.8751 |
| Mycobacterium leprae | DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE | 0.0116 | 0.3543 | 1 |
| Plasmodium vivax | glutathione reductase, putative | 0.0046 | 0.0874 | 1 |
| Echinococcus multilocularis | survival motor neuron protein 1 | 0.0286 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0072 | 0.1891 | 0.1891 |
| Wolbachia endosymbiont of Brugia malayi | exonuclease III | 0.0023 | 0 | 0.5 |
| Plasmodium falciparum | glutathione reductase | 0.0046 | 0.0874 | 1 |
| Plasmodium vivax | thioredoxin reductase, putative | 0.0046 | 0.0874 | 1 |
| Trypanosoma cruzi | trypanothione reductase, putative | 0.0046 | 0.0874 | 1 |
| Brugia malayi | Iron-sulfur cluster assembly accessory protein | 0.0058 | 0.1352 | 0.1352 |
| Loa Loa (eye worm) | hypothetical protein | 0.0161 | 0.5259 | 0.5259 |
| Loa Loa (eye worm) | glutathione reductase | 0.0046 | 0.0874 | 0.0874 |
| Treponema pallidum | exodeoxyribonuclease (exoA) | 0.0023 | 0 | 0.5 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Potency (functional) | 1.2589 uM | PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 1.5849 um | PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] | ChEMBL. | No reference |
| Potency (functional) | = 17.7828 um | PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 39.8107 uM | PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 2 (EPAC2): primary screen. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 125.8925 uM | PubChem BioAssay. qHTS for Agonist of cAMP-regulated guanine nucleotide exchange factor 4 (EPAC2): primary screen. (Class of assay: confirmatory) | ChEMBL. | No reference |
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.
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
- ChEMBL: CHEMBL1392647
Bibliographic References
No literature references available for this target.
If you have references for this compound, please enter them in a user comment (below) or Contact us.