Detailed information for compound 1550013
Basic information
Technical information
- TDR Targets ID: 1550013
- Name: N-[(2-chlorophenyl)methyl]-1-(furan-2-carbony l)piperidine-4-carboxamide
- MW: 346.808 | Formula: C18H19ClN2O3
-
H donors: 1
H acceptors: 2
LogP: 2.67
Rotable bonds: 6
Rule of 5 violations (Lipinski): 1 - SMILES: O=C(C1CCN(CC1)C(=O)c1ccco1)NCc1ccccc1Cl
- InChi: 1S/C18H19ClN2O3/c19-15-5-2-1-4-14(15)12-20-17(22)13-7-9-21(10-8-13)18(23)16-6-3-11-24-16/h1-6,11,13H,7-10,12H2,(H,20,22)
- InChiKey: VYPJFYZTSOLBPA-UHFFFAOYSA-N
Network
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Synonyms
- N-[(2-chlorophenyl)methyl]-1-(2-furyl-oxomethyl)-4-piperidinecarboxamide
- N-(2-chlorobenzyl)-1-(furan-2-carbonyl)isonipecotamide
- N-[(2-chlorophenyl)methyl]-1-furan-2-ylcarbonyl-piperidine-4-carboxamide
- ZINC04976345
- 1-(Furan-2-carbonyl)-piperidine-4-carboxylic acid 2-chloro-benzylamide
- ASN 13781269
- STK237878
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 |
|---|---|---|---|---|
| Plasmodium falciparum | heat shock protein 90 | 0.1094 | 1 | 1 |
| Loa Loa (eye worm) | endoplasmin | 0.1094 | 1 | 1 |
| Plasmodium vivax | endoplasmin, putative | 0.1094 | 1 | 1 |
| Echinococcus granulosus | heat shock protein 75 kDa mitochondrial | 0.0987 | 0.812 | 0.4552 |
| Leishmania major | heat shock protein 83-1 | 0.1094 | 1 | 1 |
| Plasmodium falciparum | heat shock protein 90, putative | 0.0951 | 0.7481 | 0.7309 |
| Trypanosoma brucei | Heat shock protein 83, putative | 0.1094 | 1 | 1 |
| Trichomonas vaginalis | heat shock protein, putative | 0.0721 | 0.345 | 0.345 |
| Trypanosoma brucei | heat shock protein, putative | 0.1094 | 1 | 1 |
| Schistosoma mansoni | heat shock protein | 0.1094 | 1 | 1 |
| Echinococcus multilocularis | endoplasmin | 0.0934 | 0.7189 | 0.1854 |
| Trichomonas vaginalis | heat shock protein, putative | 0.0934 | 0.7189 | 0.7189 |
| Toxoplasma gondii | heat shock protein HSP90 | 0.1094 | 1 | 1 |
| Trypanosoma brucei | heat shock protein, putative | 0.1094 | 1 | 1 |
| Trypanosoma brucei | heat shock protein, putative | 0.1094 | 1 | 1 |
| Plasmodium falciparum | endoplasmin, putative | 0.0721 | 0.345 | 0.3003 |
| Leishmania major | heat shock protein 83-1 | 0.1094 | 1 | 1 |
| Leishmania major | heat shock protein, putative | 0.0987 | 0.812 | 0.3313 |
| Leishmania major | heat shock protein 83-1 | 0.1094 | 1 | 1 |
| Schistosoma mansoni | endoplasmin | 0.1094 | 1 | 1 |
| Leishmania major | heat shock protein 83-1 | 0.1094 | 1 | 1 |
| Leishmania major | heat shock protein 83-1 | 0.1094 | 1 | 1 |
| Trypanosoma brucei | heat shock protein 90, putative | 0.1094 | 1 | 1 |
| Echinococcus multilocularis | heat shock protein 90 | 0.1094 | 1 | 1 |
| Leishmania major | heat shock protein 83-1 | 0.1094 | 1 | 1 |
| Trypanosoma cruzi | heat shock protein 85, putative | 0.1094 | 1 | 1 |
| Trypanosoma brucei | heat shock protein, putative | 0.1094 | 1 | 1 |
| Wolbachia endosymbiont of Brugia malayi | heat shock protein 90 | 0.0934 | 0.7189 | 0.5 |
| Trypanosoma brucei | heat shock protein, putative | 0.1094 | 1 | 1 |
| Leishmania major | heat shock protein 83-1 | 0.1094 | 1 | 1 |
| Trypanosoma cruzi | heat shock protein, putative | 0.0987 | 0.812 | 0.7953 |
| Schistosoma mansoni | endoplasmin | 0.1094 | 1 | 1 |
| Mycobacterium leprae | PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G) | 0.0934 | 0.7189 | 0.5 |
| Echinococcus multilocularis | heat shock protein | 0.1094 | 1 | 1 |
| Entamoeba histolytica | heat shock protein 90, putative | 0.1094 | 1 | 1 |
| Trichomonas vaginalis | endoplasmin, putative | 0.0721 | 0.345 | 0.345 |
| Leishmania major | heat shock protein 83-1 | 0.1094 | 1 | 1 |
| Onchocerca volvulus | Heat shock protein 75 kDa, mitochondrial homolog | 0.0987 | 0.812 | 0.5 |
| Trypanosoma brucei | heat shock protein, putative | 0.1094 | 1 | 1 |
| Echinococcus granulosus | endoplasmin | 0.0934 | 0.7189 | 0.1854 |
| Leishmania major | heat shock protein 83-1 | 0.1094 | 1 | 1 |
| Echinococcus multilocularis | heat shock protein 75 kDa, mitochondrial | 0.0987 | 0.812 | 0.4552 |
| Treponema pallidum | heat shock protein 90 | 0.0934 | 0.7189 | 0.5 |
| Brugia malayi | heat shock protein 90 | 0.1094 | 1 | 1 |
| Trypanosoma cruzi | heat shock protein 85, putative | 0.1094 | 1 | 1 |
| Leishmania major | heat shock protein 83-1 | 0.1094 | 1 | 1 |
| Mycobacterium ulcerans | heat shock protein 90 | 0.0934 | 0.7189 | 0.5 |
| Leishmania major | heat shock protein 83-1 | 0.1094 | 1 | 1 |
| Trichomonas vaginalis | heat shock protein, putative | 0.0934 | 0.7189 | 0.7189 |
| Leishmania major | heat shock protein 83-1 | 0.1094 | 1 | 1 |
| Leishmania major | heat shock protein 83-1 | 0.1094 | 1 | 1 |
| Toxoplasma gondii | heat shock protein 90, putative | 0.1094 | 1 | 1 |
| Loa Loa (eye worm) | heat shock protein 90 | 0.1094 | 1 | 1 |
| Echinococcus granulosus | heat shock protein 90 | 0.1094 | 1 | 1 |
| Trypanosoma brucei | heat shock protein 90, putative | 0.1094 | 1 | 1 |
| Entamoeba histolytica | heat shock protein 90, putative | 0.1094 | 1 | 1 |
| Mycobacterium tuberculosis | Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) | 0.0934 | 0.7189 | 0.5 |
| Trypanosoma cruzi | heat shock protein 90, putative | 0.1094 | 1 | 1 |
| Plasmodium vivax | heat shock protein 86, putative | 0.1094 | 1 | 1 |
| Leishmania major | heat shock protein 83-1 | 0.1094 | 1 | 1 |
| Trypanosoma cruzi | heat shock protein 85, putative | 0.1094 | 1 | 1 |
| Trypanosoma brucei | heat shock protein, putative | 0.1094 | 1 | 1 |
| Trypanosoma cruzi | Heat shock protein 83, putative | 0.1094 | 1 | 1 |
| Leishmania major | heat shock protein 83-1 | 0.1094 | 1 | 1 |
| Trypanosoma cruzi | heat shock protein 90, putative | 0.0897 | 0.655 | 0.6242 |
| Trichomonas vaginalis | heat shock protein, putative | 0.1094 | 1 | 1 |
| Plasmodium vivax | heat shock protein 90, putative | 0.0987 | 0.812 | 0.7992 |
| Echinococcus granulosus | heat shock protein | 0.1094 | 1 | 1 |
| Leishmania major | heat shock protein 83-1 | 0.1094 | 1 | 1 |
| Trypanosoma cruzi | heat shock protein 85, putative | 0.0897 | 0.655 | 0.6242 |
| Giardia lamblia | Heat shock protein HSP 90-alpha | 0.1094 | 1 | 1 |
| Giardia lamblia | Grp94/Hsp90 | 0.0934 | 0.7189 | 0.1854 |
| Trichomonas vaginalis | heat shock protein, putative | 0.0897 | 0.655 | 0.655 |
| Leishmania major | heat shock protein 83-1 | 0.1094 | 1 | 1 |
| Schistosoma mansoni | heat shock protein | 0.1094 | 1 | 1 |
| Trypanosoma brucei | heat shock protein, putative | 0.1094 | 1 | 1 |
| Toxoplasma gondii | heat shock protein 75, putative | 0.0987 | 0.812 | 0.7992 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Potency (functional) | 0.2936 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 Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] | 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.
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: CHEMBL1880411
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.