Detailed information for compound 1588075
Basic information
Technical information
- TDR Targets ID: 1588075
- Name: N-[(4-fluorophenyl)methyl]-1-pyridin-3-ylsulf onylpiperidine-4-carboxamide
- MW: 377.433 | Formula: C18H20FN3O3S
-
H donors: 1
H acceptors: 4
LogP: 1.37
Rotable bonds: 6
Rule of 5 violations (Lipinski): 1 - SMILES: O=C(C1CCN(CC1)S(=O)(=O)c1cccnc1)NCc1ccc(cc1)F
- InChi: 1S/C18H20FN3O3S/c19-16-5-3-14(4-6-16)12-21-18(23)15-7-10-22(11-8-15)26(24,25)17-2-1-9-20-13-17/h1-6,9,13,15H,7-8,10-12H2,(H,21,23)
- InChiKey: RHJXATRUXQDLQY-UHFFFAOYSA-N
Network
Hover on a compound node to display the structore
Synonyms
- N-[(4-fluorophenyl)methyl]-1-(3-pyridylsulfonyl)piperidine-4-carboxamide
- N-[(4-fluorophenyl)methyl]-1-(3-pyridylsulfonyl)-4-piperidinecarboxamide
- N-(4-fluorobenzyl)-1-(3-pyridylsulfonyl)isonipecotamide
- N-[(4-fluorophenyl)methyl]-1-pyridin-3-ylsulfonyl-piperidine-4-carboxamide
- EU-0025504
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | geminin, DNA replication inhibitor | 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 |
|---|---|---|---|---|---|
| Brugia malayi | Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X | geminin, DNA replication inhibitor | 209 aa | 176 aa | 27.8 % |
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Leishmania major | replication factor A, 51kDa subunit, putative | 0.0148 | 0.3476 | 0.5 |
| Plasmodium falciparum | replication protein A1, large subunit | 0.0148 | 0.3476 | 0.5 |
| Plasmodium vivax | replication protein A1, large subunit, putative | 0.0148 | 0.3476 | 0.5 |
| Echinococcus granulosus | replication protein A 70 kDa DNA binding | 0.0308 | 1 | 1 |
| Echinococcus multilocularis | replication protein A 70 kDa DNA binding | 0.0308 | 1 | 1 |
| Schistosoma mansoni | replication factor A 1 rfa1 | 0.0308 | 1 | 1 |
| Trypanosoma cruzi | Replication factor A protein 1 | 0.0148 | 0.3476 | 0.5 |
| Trichomonas vaginalis | replication factor A 1, rfa1, putative | 0.0308 | 1 | 1 |
| Entamoeba histolytica | replication factor A protein 1, putative | 0.0133 | 0.2858 | 0.5 |
| Trichomonas vaginalis | replication factor A 1, rfa1, putative | 0.0308 | 1 | 1 |
| Trichomonas vaginalis | replication factor A 1, rfa1, putative | 0.0293 | 0.9382 | 0.9053 |
| Toxoplasma gondii | replication factor-a protein 1 (rpa1) subfamily protein | 0.0148 | 0.3476 | 1 |
| Onchocerca volvulus | Putative replication factor A 73 kDa subunit | 0.0276 | 0.8684 | 0.5 |
| Loa Loa (eye worm) | replication factor A 73 kDa subunit | 0.0308 | 1 | 1 |
| Trypanosoma brucei | Replication factor A protein 1 | 0.0148 | 0.3476 | 0.5 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Potency (functional) | 3.6626 uM | PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) | 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 |
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: CHEMBL1895043
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.